3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

C22H20N4OS2 — CID 23997973

IUPAC3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCc1csc(NC(=O)c2sc3nc4c(cc3c2N)CC(c2ccccc2)CC4)n1
InChIInChI=1S/C22H20N4OS2/c1-12-11-28-22(24-12)26-20(27)19-18(23)16-10-15-9-14(13-5-3-2-4-6-13)7-8-17(15)25-21(16)29-19/h2-6,10-11,14H,7-9,23H2,1H3,(H,24,26,27)
InChIKeyHADBXJSQMXJCKB-UHFFFAOYSA-N
MW420.56 g/mol
LogP5.17
Rot. Bonds3

About 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (PubChem CID 23997973) has the molecular formula C22H20N4OS2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
PubChem CID23997973
Molecular FormulaC22H20N4OS2
Molecular Weight420.56 g/mol
Exact Mass420.11
IUPAC Name3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
SMILESCc1csc(NC(=O)c2sc3nc4c(cc3c2N)CC(c2ccccc2)CC4)n1
InChIInChI=1S/C22H20N4OS2/c1-12-11-28-22(24-12)26-20(27)19-18(23)16-10-15-9-14(13-5-3-2-4-6-13)7-8-17(15)25-21(16)29-19/h2-6,10-11,14H,7-9,23H2,1H3,(H,24,26,27)
InChIKeyHADBXJSQMXJCKB-UHFFFAOYSA-N
XLogP5.17
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.56
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide with MolForge

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Related Compounds

3-amino-N-(2-cyanophenyl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23944846
3-amino-6-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23772164
3-amino-N-(2-chloro-3-pyridinyl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 4074447
3-amino-N-(3-chloro-4-methoxyphenyl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23832692
ethyl 2-[(3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 23830029
3-amino-N-(6-tert-butyl-3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23944847
3-amino-6-tert-butyl-N-(3-carbamoyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23888923
6-amino-N-(3-carbamoyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
CID 23774785
[(6R)-3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl]-(4-nitrophenyl)methanone
CID 124585248
(3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 23744148
3-amino-6-tert-butyl-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23801376
3-amino-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23830170

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The IUPAC name of 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide (CID 23997973) is 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is Cc1csc(NC(=O)c2sc3nc4c(cc3c2N)CC(c2ccccc2)CC4)n1.
What is the InChIKey of 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
The InChIKey is HADBXJSQMXJCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS2/c1-12-11-28-22(24-12)26-20(27)19-18(23)16-10-15-9-14(13-5-3-2-4-6-13)7-8-17(15)25-21(16)29-19/h2-6,10-11,14H,7-9,23H2,1H3,(H,24,26,27).
What are the key properties of 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide?
3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 5.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methyl-1,3-thiazol-2-yl)-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide is sourced from PubChem (CID 23997973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).