4-(benzimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(4-chloroimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-imidazo[4,5-c]pyridin-3-yl-2-piperidin-1-yl-1,3-thiazole;methane;2-piperidin-1-yl-4-pyridin-4-yl-1,3-thiazole

C54H63ClN16S4 — CID 158285967

IUPAC4-(benzimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(4-chloroimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-imidazo[4,5-c]pyridin-3-yl-2-piperidin-1-yl-1,3-thiazole;methane;2-piperidin-1-yl-4-pyridin-4-yl-1,3-thiazole
SMILESC.Clc1cn(-c2csc(N3CCCCC3)n2)cn1.c1cc(-c2csc(N3CCCCC3)n2)ccn1.c1cc2ncn(-c3csc(N4CCCCC4)n3)c2cn1.c1ccc2c(c1)ncn2-c1csc(N2CCCCC2)n1
InChIInChI=1S/C15H16N4S.C14H15N5S.C13H15N3S.C11H13ClN4S.CH4/c1-4-8-18(9-5-1)15-17-14(10-20-15)19-11-16-12-6-2-3-7-13(12)19;1-2-6-18(7-3-1)14-17-13(9-20-14)19-10-16-11-4-5-15-8-12(11)19;1-2-8-16(9-3-1)13-15-12(10-17-13)11-4-6-14-7-5-11;12-9-6-16(8-13-9)10-7-17-11(14-10)15-4-2-1-3-5-15;/h2-3,6-7,10-11H,1,4-5,8-9H2;4-5,8-10H,1-3,6-7H2;4-7,10H,1-3,8-9H2;6-8H,1-5H2;1H4
InChIKeyGKUCTQNNDJAIOP-UHFFFAOYSA-N
MW1099.93 g/mol
LogP13.14
Rot. Bonds8

About 4-(benzimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(4-chloroimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-imidazo[4,5-c]pyridin-3-yl-2-piperidin-1-yl-1,3-thiazole;methane;2-piperidin-1-yl-4-pyridin-4-yl-1,3-thiazole

4-(benzimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(4-chloroimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-imidazo[4,5-c]pyridin-3-yl-2-piperidin-1-yl-1,3-thiazole;methane;2-piperidin-1-yl-4-pyridin-4-yl-1,3-thiazole (PubChem CID 158285967) has the molecular formula C54H63ClN16S4 and a molecular weight of 1099.93 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(4-chloroimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-imidazo[4,5-c]pyridin-3-yl-2-piperidin-1-yl-1,3-thiazole;methane;2-piperidin-1-yl-4-pyridin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(4-chloroimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-imidazo[4,5-c]pyridin-3-yl-2-piperidin-1-yl-1,3-thiazole;methane;2-piperidin-1-yl-4-pyridin-4-yl-1,3-thiazole
PubChem CID158285967
Molecular FormulaC54H63ClN16S4
Molecular Weight1099.93 g/mol
Exact Mass1098.40
IUPAC Name4-(benzimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(4-chloroimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-imidazo[4,5-c]pyridin-3-yl-2-piperidin-1-yl-1,3-thiazole;methane;2-piperidin-1-yl-4-pyridin-4-yl-1,3-thiazole
SMILESC.Clc1cn(-c2csc(N3CCCCC3)n2)cn1.c1cc(-c2csc(N3CCCCC3)n2)ccn1.c1cc2ncn(-c3csc(N4CCCCC4)n3)c2cn1.c1ccc2c(c1)ncn2-c1csc(N2CCCCC2)n1
InChIInChI=1S/C15H16N4S.C14H15N5S.C13H15N3S.C11H13ClN4S.CH4/c1-4-8-18(9-5-1)15-17-14(10-20-15)19-11-16-12-6-2-3-7-13(12)19;1-2-6-18(7-3-1)14-17-13(9-20-14)19-10-16-11-4-5-15-8-12(11)19;1-2-8-16(9-3-1)13-15-12(10-17-13)11-4-6-14-7-5-11;12-9-6-16(8-13-9)10-7-17-11(14-10)15-4-2-1-3-5-15;/h2-3,6-7,10-11H,1,4-5,8-9H2;4-5,8-10H,1-3,6-7H2;4-7,10H,1-3,8-9H2;6-8H,1-5H2;1H4
InChIKeyGKUCTQNNDJAIOP-UHFFFAOYSA-N
XLogP13.14
TPSA143.76 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001099.93
LogP ≤ 513.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 4-(benzimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(4-chloroimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-imidazo[4,5-c]pyridin-3-yl-2-piperidin-1-yl-1,3-thiazole;methane;2-piperidin-1-yl-4-pyridin-4-yl-1,3-thiazole with MolForge

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Related Compounds

3-Chloropyridine;bis(2-fluoropyridine);3-fluoropyridine;2-methoxypyrimidine;tris(2-methylpyrazine);2-methylpyridine;bis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;pyrazine;bis(pyridin-2-amine);tris(pyridine);pyrimidin-2-amine;pyrimidine;tris(1,3-thiazole);thiophene;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
CID 159189621
8,10-Dimethyl-12-(2-methyl-3-pyridinyl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;8,10-dimethyl-12-propyl-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 90047285
12-Bromo-8,10-dimethyl-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;8,10-dimethyl-12-(3-methyl-4-pyridinyl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;8,10-dimethyl-12-(6-methyl-3-pyridinyl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 90047323
1-(2-Methylpyrimidin-4-yl)-1,2-bis(2-methyl-7-pyrimidin-5-yl-[1,3]thiazolo[4,5-c]pyridin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)hydrazine
CID 90891605
1,2-Bis[7-(2-chloro-4-pyridinyl)-2-methyl-[1,3]thiazolo[4,5-c]pyridin-4-yl]-1-(2-methyl-4-pyridinyl)-2-(2-methyl-1,3-thiazol-4-yl)hydrazine
CID 90900649
N,N-dimethyl-2-thiophen-3-ylimidazo[1,2-a]pyrimidin-7-amine;2-[7-(4-fluoropiperidin-1-yl)imidazo[1,2-a]pyrimidin-2-yl]-1,3-benzothiazole
CID 126740832
5,11-Bis(5-pyrrolo[3,2-c]pyridin-1-ylbenzimidazol-1-yl)-4,12-dithia-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
CID 135252633
2-methyl-4-[5-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;2-N-[1-[5-[[4-[8-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]thiophen-2-yl]ethenyl]benzene-1,2-diamine;2-N-(1-thiophen-2-ylethenyl)benzene-1,2-diamine
CID 145540943
2-[3-[3,5-Bis[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;2-[3-[3,5-bis[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 157061883
bis(4,5-dimethyl-1,3-thiazole);ethane;3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;1-methyltriazole;2-methyltriazole;tris(4-methyl-2H-triazole)
CID 157075524
2-[2-[3-[2-(1-methylbenzimidazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-thiazole;2-[2-[3-[2-(1-methylbenzimidazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-4-pyridinyl]-1,3-thiazole;2-[6-[3-[2-(1-methylbenzimidazol-2-yl)-1H-carbazol-1-id-9-yl]benzene-2-id-1-yl]-3-pyridinyl]-1,3-thiazole;2-[4-[2-(1-methylbenzimidazol-2-yl)-1H-carbazol-1-id-9-yl]-2-pyridin-2-ylbenzene-3-id-1-yl]-1,3-thiazole;tetrakis(platinum(2+))
CID 157122732
CID 157183534
CID 157183534

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(4-chloroimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-imidazo[4,5-c]pyridin-3-yl-2-piperidin-1-yl-1,3-thiazole;methane;2-piperidin-1-yl-4-pyridin-4-yl-1,3-thiazole?
The IUPAC name of 4-(benzimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(4-chloroimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-imidazo[4,5-c]pyridin-3-yl-2-piperidin-1-yl-1,3-thiazole;methane;2-piperidin-1-yl-4-pyridin-4-yl-1,3-thiazole (CID 158285967) is 4-(benzimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(4-chloroimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-imidazo[4,5-c]pyridin-3-yl-2-piperidin-1-yl-1,3-thiazole;methane;2-piperidin-1-yl-4-pyridin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-(benzimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(4-chloroimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-imidazo[4,5-c]pyridin-3-yl-2-piperidin-1-yl-1,3-thiazole;methane;2-piperidin-1-yl-4-pyridin-4-yl-1,3-thiazole?
The canonical SMILES for 4-(benzimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(4-chloroimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-imidazo[4,5-c]pyridin-3-yl-2-piperidin-1-yl-1,3-thiazole;methane;2-piperidin-1-yl-4-pyridin-4-yl-1,3-thiazole is C.Clc1cn(-c2csc(N3CCCCC3)n2)cn1.c1cc(-c2csc(N3CCCCC3)n2)ccn1.c1cc2ncn(-c3csc(N4CCCCC4)n3)c2cn1.c1ccc2c(c1)ncn2-c1csc(N2CCCCC2)n1.
What is the InChIKey of 4-(benzimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(4-chloroimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-imidazo[4,5-c]pyridin-3-yl-2-piperidin-1-yl-1,3-thiazole;methane;2-piperidin-1-yl-4-pyridin-4-yl-1,3-thiazole?
The InChIKey is GKUCTQNNDJAIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S.C14H15N5S.C13H15N3S.C11H13ClN4S.CH4/c1-4-8-18(9-5-1)15-17-14(10-20-15)19-11-16-12-6-2-3-7-13(12)19;1-2-6-18(7-3-1)14-17-13(9-20-14)19-10-16-11-4-5-15-8-12(11)19;1-2-8-16(9-3-1)13-15-12(10-17-13)11-4-6-14-7-5-11;12-9-6-16(8-13-9)10-7-17-11(14-10)15-4-2-1-3-5-15;/h2-3,6-7,10-11H,1,4-5,8-9H2;4-5,8-10H,1-3,6-7H2;4-7,10H,1-3,8-9H2;6-8H,1-5H2;1H4.
What are the key properties of 4-(benzimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(4-chloroimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-imidazo[4,5-c]pyridin-3-yl-2-piperidin-1-yl-1,3-thiazole;methane;2-piperidin-1-yl-4-pyridin-4-yl-1,3-thiazole?
4-(benzimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(4-chloroimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-imidazo[4,5-c]pyridin-3-yl-2-piperidin-1-yl-1,3-thiazole;methane;2-piperidin-1-yl-4-pyridin-4-yl-1,3-thiazole has a molecular weight of 1099.93 g/mol, XLogP of 13.14, 8 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-(4-chloroimidazol-1-yl)-2-piperidin-1-yl-1,3-thiazole;4-imidazo[4,5-c]pyridin-3-yl-2-piperidin-1-yl-1,3-thiazole;methane;2-piperidin-1-yl-4-pyridin-4-yl-1,3-thiazole is sourced from PubChem (CID 158285967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).