5-[4-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[5-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2,5-difluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-fluoro-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine

C87H111Cl2F3N26S5 — CID 157119703

IUPAC5-[4-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[5-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2,5-difluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-fluoro-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCN(c1nnc(-c2cc(-c3ccnc(N)n3)ccc2Cl)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ccc(-c3ccnc(N)n3)cc2Cl)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ncc(-c3cn[nH]c3)cc2F)s1)C1CC(C)(C)NC(C)(C)C1.Cc1nc(C)c(-c2cc(F)c(-c3nnc(N(C)C4CC(C)(C)NC(C)(C)C4)s3)cc2F)s1
InChIInChI=1S/C23H29F2N5S2.2C22H28ClN7S.C20H26FN7S/c1-12-19(31-13(2)26-12)15-8-18(25)16(9-17(15)24)20-27-28-21(32-20)30(7)14-10-22(3,4)29-23(5,6)11-14;1-21(2)11-14(12-22(3,4)29-21)30(5)20-28-27-18(31-20)15-10-13(6-7-16(15)23)17-8-9-25-19(24)26-17;1-21(2)11-14(12-22(3,4)29-21)30(5)20-28-27-18(31-20)15-7-6-13(10-16(15)23)17-8-9-25-19(24)26-17;1-19(2)7-14(8-20(3,4)27-19)28(5)18-26-25-17(29-18)16-15(21)6-12(9-22-16)13-10-23-24-11-13/h8-9,14,29H,10-11H2,1-7H3;2*6-10,14,29H,11-12H2,1-5H3,(H2,24,25,26);6,9-11,14,27H,7-8H2,1-5H3,(H,23,24)
InChIKeyAHVBAXCKNAVLIJ-UHFFFAOYSA-N
MW1809.26 g/mol
LogP19.13
Rot. Bonds16

About 5-[4-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[5-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2,5-difluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-fluoro-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine

5-[4-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[5-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2,5-difluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-fluoro-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 157119703) has the molecular formula C87H111Cl2F3N26S5 and a molecular weight of 1809.26 g/mol. Its IUPAC name is 5-[4-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[5-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2,5-difluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-fluoro-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[4-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[5-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2,5-difluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-fluoro-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
PubChem CID157119703
Molecular FormulaC87H111Cl2F3N26S5
Molecular Weight1809.26 g/mol
Exact Mass1806.74
IUPAC Name5-[4-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[5-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2,5-difluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-fluoro-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCN(c1nnc(-c2cc(-c3ccnc(N)n3)ccc2Cl)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ccc(-c3ccnc(N)n3)cc2Cl)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ncc(-c3cn[nH]c3)cc2F)s1)C1CC(C)(C)NC(C)(C)C1.Cc1nc(C)c(-c2cc(F)c(-c3nnc(N(C)C4CC(C)(C)NC(C)(C)C4)s3)cc2F)s1
InChIInChI=1S/C23H29F2N5S2.2C22H28ClN7S.C20H26FN7S/c1-12-19(31-13(2)26-12)15-8-18(25)16(9-17(15)24)20-27-28-21(32-20)30(7)14-10-22(3,4)29-23(5,6)11-14;1-21(2)11-14(12-22(3,4)29-21)30(5)20-28-27-18(31-20)15-10-13(6-7-16(15)23)17-8-9-25-19(24)26-17;1-21(2)11-14(12-22(3,4)29-21)30(5)20-28-27-18(31-20)15-7-6-13(10-16(15)23)17-8-9-25-19(24)26-17;1-19(2)7-14(8-20(3,4)27-19)28(5)18-26-25-17(29-18)16-15(21)6-12(9-22-16)13-10-23-24-11-13/h8-9,14,29H,10-11H2,1-7H3;2*6-10,14,29H,11-12H2,1-5H3,(H2,24,25,26);6,9-11,14,27H,7-8H2,1-5H3,(H,23,24)
InChIKeyAHVBAXCKNAVLIJ-UHFFFAOYSA-N
XLogP19.13
TPSA322.26 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds16
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001809.26
LogP ≤ 519.13
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Analyze 5-[4-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[5-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2,5-difluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-fluoro-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

2-Chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;1,2,3-trifluoro-5-propan-2-ylbenzene
CID 157443238
2-chloro-1-fluoro-4-propan-2-ylbenzene;1-chloro-2-propan-2-ylbenzene;1-chloro-4-propan-2-ylbenzene;cumene;1,2-difluoro-3-methyl-5-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;bis(4-propan-2-ylpyrimidine);2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 160948203
5-[8-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine;5-[8-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 161336606
4-[3-chloro-4-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]phenyl]-1-methylpyridin-2-one;5-[2-chloro-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[2-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;N-methyl-5-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
CID 161690737

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[5-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2,5-difluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-fluoro-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[4-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[5-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2,5-difluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-fluoro-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (CID 157119703) is 5-[4-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[5-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2,5-difluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-fluoro-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[4-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[5-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2,5-difluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-fluoro-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[4-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[5-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2,5-difluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-fluoro-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is CN(c1nnc(-c2cc(-c3ccnc(N)n3)ccc2Cl)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ccc(-c3ccnc(N)n3)cc2Cl)s1)C1CC(C)(C)NC(C)(C)C1.CN(c1nnc(-c2ncc(-c3cn[nH]c3)cc2F)s1)C1CC(C)(C)NC(C)(C)C1.Cc1nc(C)c(-c2cc(F)c(-c3nnc(N(C)C4CC(C)(C)NC(C)(C)C4)s3)cc2F)s1.
What is the InChIKey of 5-[4-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[5-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2,5-difluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-fluoro-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is AHVBAXCKNAVLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N5S2.2C22H28ClN7S.C20H26FN7S/c1-12-19(31-13(2)26-12)15-8-18(25)16(9-17(15)24)20-27-28-21(32-20)30(7)14-10-22(3,4)29-23(5,6)11-14;1-21(2)11-14(12-22(3,4)29-21)30(5)20-28-27-18(31-20)15-10-13(6-7-16(15)23)17-8-9-25-19(24)26-17;1-21(2)11-14(12-22(3,4)29-21)30(5)20-28-27-18(31-20)15-7-6-13(10-16(15)23)17-8-9-25-19(24)26-17;1-19(2)7-14(8-20(3,4)27-19)28(5)18-26-25-17(29-18)16-15(21)6-12(9-22-16)13-10-23-24-11-13/h8-9,14,29H,10-11H2,1-7H3;2*6-10,14,29H,11-12H2,1-5H3,(H2,24,25,26);6,9-11,14,27H,7-8H2,1-5H3,(H,23,24).
What are the key properties of 5-[4-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[5-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2,5-difluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-fluoro-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
5-[4-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[5-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2,5-difluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-fluoro-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 1809.26 g/mol, XLogP of 19.13, 16 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[5-(2-aminopyrimidin-4-yl)-2-chlorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-2,5-difluorophenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine;5-[3-fluoro-5-(1H-pyrazol-4-yl)-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 157119703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).