N-[5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide

C23H22ClN3O2S2 — CID 90526994

About N-[5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide

N-[5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide (PubChem CID 90526994) has the molecular formula C23H22ClN3O2S2 and a molecular weight of 472.04 g/mol. Its IUPAC name is N-[5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
• PubChem CID: 90526994
• Molecular Formula: C23H22ClN3O2S2
• Molecular Weight: 472.04 g/mol
• Exact Mass: 471.08
• IUPAC Name: N-[5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide
• SMILES: O=C(Nc1nc2c(s1)CN(C(=O)C1(c3ccc(Cl)cc3)CCCC1)CC2)c1cccs1
• InChI: InChI=1S/C23H22ClN3O2S2/c24-16-7-5-15(6-8-16)23(10-1-2-11-23)21(29)27-12-9-17-19(14-27)31-22(25-17)26-20(28)18-4-3-13-30-18/h3-8,13H,1-2,9-12,14H2,(H,25,26,28)
• InChIKey: JWTRDWYETDQCFJ-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.04
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide (CID 90526994) is N-[5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide is O=C(Nc1nc2c(s1)CN(C(=O)C1(c3ccc(Cl)cc3)CCCC1)CC2)c1cccs1.

What is the InChIKey of N-[5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide?

The InChIKey is JWTRDWYETDQCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2S2/c24-16-7-5-15(6-8-16)23(10-1-2-11-23)21(29)27-12-9-17-19(14-27)31-22(25-17)26-20(28)18-4-3-13-30-18/h3-8,13H,1-2,9-12,14H2,(H,25,26,28).

What are the key properties of N-[5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide?

N-[5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide has a molecular weight of 472.04 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-(4-chlorophenyl)cyclopentanecarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 90526994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).