8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;bis(8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine)

C78H71F3N20S5 — CID 159449508

IUPAC8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;bis(8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine)
SMILESCC(C)(C)c1ncc2c(n1)-c1sc(N)nc1CC2.CC(F)(F)c1ccccc1-c1ncc2c(n1)-c1sc(N)nc1CC2.Cc1c(F)cccc1-c1ncc2c(n1)-c1sc(N)nc1CC2.Cc1ccccc1-c1ncc2c(n1)-c1sc(N)nc1CC2.Cc1ccccc1-c1ncc2c(n1)-c1sc(N)nc1CC2
InChIInChI=1S/C17H14F2N4S.C16H13FN4S.2C16H14N4S.C13H16N4S/c1-17(18,19)11-5-3-2-4-10(11)15-21-8-9-6-7-12-14(13(9)23-15)24-16(20)22-12;1-8-10(3-2-4-11(8)17)15-19-7-9-5-6-12-14(13(9)21-15)22-16(18)20-12;2*1-9-4-2-3-5-11(9)15-18-8-10-6-7-12-14(13(10)20-15)21-16(17)19-12;1-13(2,3)11-15-6-7-4-5-8-10(9(7)17-11)18-12(14)16-8/h2-5,8H,6-7H2,1H3,(H2,20,22);2-4,7H,5-6H2,1H3,(H2,18,20);2*2-5,8H,6-7H2,1H3,(H2,17,19);6H,4-5H2,1-3H3,(H2,14,16)
InChIKeyLTEOCSNFLBPVCA-UHFFFAOYSA-N
MW1505.89 g/mol
LogP16.55
Rot. Bonds5

About 8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;bis(8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine)

8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;bis(8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine) (PubChem CID 159449508) has the molecular formula C78H71F3N20S5 and a molecular weight of 1505.89 g/mol. Its IUPAC name is 8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;bis(8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine).

Molecular Properties

Compound Name8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;bis(8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine)
PubChem CID159449508
Molecular FormulaC78H71F3N20S5
Molecular Weight1505.89 g/mol
Exact Mass1504.47
IUPAC Name8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;bis(8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine)
SMILESCC(C)(C)c1ncc2c(n1)-c1sc(N)nc1CC2.CC(F)(F)c1ccccc1-c1ncc2c(n1)-c1sc(N)nc1CC2.Cc1c(F)cccc1-c1ncc2c(n1)-c1sc(N)nc1CC2.Cc1ccccc1-c1ncc2c(n1)-c1sc(N)nc1CC2.Cc1ccccc1-c1ncc2c(n1)-c1sc(N)nc1CC2
InChIInChI=1S/C17H14F2N4S.C16H13FN4S.2C16H14N4S.C13H16N4S/c1-17(18,19)11-5-3-2-4-10(11)15-21-8-9-6-7-12-14(13(9)23-15)24-16(20)22-12;1-8-10(3-2-4-11(8)17)15-19-7-9-5-6-12-14(13(9)21-15)22-16(18)20-12;2*1-9-4-2-3-5-11(9)15-18-8-10-6-7-12-14(13(10)20-15)21-16(17)19-12;1-13(2,3)11-15-6-7-4-5-8-10(9(7)17-11)18-12(14)16-8/h2-5,8H,6-7H2,1H3,(H2,20,22);2-4,7H,5-6H2,1H3,(H2,18,20);2*2-5,8H,6-7H2,1H3,(H2,17,19);6H,4-5H2,1-3H3,(H2,14,16)
InChIKeyLTEOCSNFLBPVCA-UHFFFAOYSA-N
XLogP16.55
TPSA323.45 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds5
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001505.89
LogP ≤ 516.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;bis(8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine) with MolForge

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Related Compounds

2-[1-(4-Tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;7-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-methyl-3-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-2-yl]thieno[2,3-c]pyridin-6-ium;4-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methyl-7-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-2-yl]thieno[3,2-d]pyrimidin-3-ium
CID 157110986
N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinolin-2-yl)acetamide;N-[8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;N-[8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide;bis(N-[8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]acetamide)
CID 158936616
S-ethyl N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)carbamothioate;S-ethyl N-[8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]carbamothioate;S-ethyl N-[8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]carbamothioate;bis(S-ethyl N-[8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl]carbamothioate)
CID 159192078
2-[1-(4-Tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]-4-methyl-1,3-thiazole;7-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-methyl-3-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-c]pyridin-6-ium;4-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methyl-7-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-methyl-1,3-thiazole;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]-4-methyl-1,3-thiazole
CID 160970041
ethane;2-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d][1,3]thiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;bis(6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine);2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 157449963
4-[2-(2,6-Dimethyl-3-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-1,3-benzothiazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-isoquinolin-5-ylphenyl]-2-phenyl-1,3-benzothiazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylphenyl]-2-phenyl-1,3-benzothiazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylphenyl]-2-phenyl-1,3-benzothiazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]-2-phenyl-1,3-benzothiazole;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-quinolin-8-ylphenyl]-2-phenyl-1,3-benzothiazole
CID 157909646
2,4-Diphenyl-1,3-benzothiazole;2-phenyl-4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzothiazole;2-phenyl-6-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzothiazole;2-phenyl-6-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzothiazole;2-phenyl-6-[4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzothiazole;4-phenyl-2-(4-phenylphenyl)pyrimidine
CID 157961453
7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-methyl-3,4-dihydro-1H-isoquinoline;7-methyl-6,8-dihydro-5H-1,7-naphthyridine;6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine;6-methyl-5,7-dihydropyrrolo[3,4-b]pyridine;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;5-methyl-1,2,3,4,6,7-hexahydropyrrolo[3,4-c]pyridine;3-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 158039349
CID 158270327
CID 158270327
CID 158958512
CID 158958512
methane;7-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;1-methyl-2,3-dihydroindole;2-methyl-1,3-dihydroisoindole;2-methyl-3,4-dihydro-1H-isoquinoline;bis(2-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine);1-methyl-3,4-dihydro-2H-quinoline;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;2-methyl-1,3,4,5-tetrahydrocyclopenta[c]pyridine;2-methyl-1,3,4,6-tetrahydrocyclopenta[c]pyridine;bis(2-methyl-1,3,4,7-tetrahydrocyclopenta[c]pyridine)
CID 158988001
7-Fluoro-2-methyl-1-(1-methylcarbazol-9-yl)-[1]benzothiolo[2,3-c]pyridin-2-ium;7-fluoro-3-methyl-4-(1-methylcarbazol-9-yl)-[1]benzothiolo[3,2-d]pyrimidin-3-ium;11-fluoro-5-methyl-6-(1-methylcarbazol-9-yl)-8-thia-10-aza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-fluoro-5-methyl-6-(1-methylcarbazol-9-yl)-8-thia-3,10-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;11-fluoro-5-methyl-6-(2-methylphenyl)-8-thia-3,10-diaza-5-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 159382205

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;bis(8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine)?
The IUPAC name of 8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;bis(8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine) (CID 159449508) is 8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;bis(8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine).
What is the SMILES notation for 8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;bis(8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine)?
The canonical SMILES for 8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;bis(8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine) is CC(C)(C)c1ncc2c(n1)-c1sc(N)nc1CC2.CC(F)(F)c1ccccc1-c1ncc2c(n1)-c1sc(N)nc1CC2.Cc1c(F)cccc1-c1ncc2c(n1)-c1sc(N)nc1CC2.Cc1ccccc1-c1ncc2c(n1)-c1sc(N)nc1CC2.Cc1ccccc1-c1ncc2c(n1)-c1sc(N)nc1CC2.
What is the InChIKey of 8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;bis(8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine)?
The InChIKey is LTEOCSNFLBPVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N4S.C16H13FN4S.2C16H14N4S.C13H16N4S/c1-17(18,19)11-5-3-2-4-10(11)15-21-8-9-6-7-12-14(13(9)23-15)24-16(20)22-12;1-8-10(3-2-4-11(8)17)15-19-7-9-5-6-12-14(13(9)21-15)22-16(18)20-12;2*1-9-4-2-3-5-11(9)15-18-8-10-6-7-12-14(13(10)20-15)21-16(17)19-12;1-13(2,3)11-15-6-7-4-5-8-10(9(7)17-11)18-12(14)16-8/h2-5,8H,6-7H2,1H3,(H2,20,22);2-4,7H,5-6H2,1H3,(H2,18,20);2*2-5,8H,6-7H2,1H3,(H2,17,19);6H,4-5H2,1-3H3,(H2,14,16).
What are the key properties of 8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;bis(8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine)?
8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;bis(8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine) has a molecular weight of 1505.89 g/mol, XLogP of 16.55, 5 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-[2-(1,1-difluoroethyl)phenyl]-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;8-(3-fluoro-2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine;bis(8-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-amine) is sourced from PubChem (CID 159449508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).