3-amino-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide

C23H15ClN4OS2 — CID 23914363

IUPAC3-amino-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)sc2nc(-c3ccccc3)ccc12
InChIInChI=1S/C23H15ClN4OS2/c24-15-8-6-14(7-9-15)18-12-30-23(27-18)28-21(29)20-19(25)16-10-11-17(26-22(16)31-20)13-4-2-1-3-5-13/h1-12H,25H2,(H,27,28,29)
InChIKeyRUAQOHKZZUREGT-UHFFFAOYSA-N
MW462.99 g/mol
LogP6.57
Rot. Bonds4

About 3-amino-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23914363) has the molecular formula C23H15ClN4OS2 and a molecular weight of 462.99 g/mol. Its IUPAC name is 3-amino-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID23914363
Molecular FormulaC23H15ClN4OS2
Molecular Weight462.99 g/mol
Exact Mass462.04
IUPAC Name3-amino-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)sc2nc(-c3ccccc3)ccc12
InChIInChI=1S/C23H15ClN4OS2/c24-15-8-6-14(7-9-15)18-12-30-23(27-18)28-21(29)20-19(25)16-10-11-17(26-22(16)31-20)13-4-2-1-3-5-13/h1-12H,25H2,(H,27,28,29)
InChIKeyRUAQOHKZZUREGT-UHFFFAOYSA-N
XLogP6.57
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.99
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(1,3-benzothiazol-2-yl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23772153
3-amino-N-(2-chlorophenyl)-6-(4-chlorophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23913772
3-amino-6-(4-chlorophenyl)-N-(1-phenylethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23772120
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
3-amino-6-phenyl-N-pyridin-3-ylthieno[2,3-b]pyridine-2-carboxamide
CID 23772142
3-amino-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-6-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23830180
3-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-6-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23914370
2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2163412
3-amino-N-benzyl-6-(4-chlorophenyl)-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 23744153
[3-amino-6-(4-chlorophenyl)thieno[2,3-b]pyridin-2-yl]-thiophen-2-ylmethanone
CID 23943421
3-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23998031
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

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide (CID 23914363) is 3-amino-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)sc2nc(-c3ccccc3)ccc12.
What is the InChIKey of 3-amino-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is RUAQOHKZZUREGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN4OS2/c24-15-8-6-14(7-9-15)18-12-30-23(27-18)28-21(29)20-19(25)16-10-11-17(26-22(16)31-20)13-4-2-1-3-5-13/h1-12H,25H2,(H,27,28,29).
What are the key properties of 3-amino-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 462.99 g/mol, XLogP of 6.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-phenylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23914363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).