1-[5-(3-acetylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea

C20H24N4O4S2 — CID 90529700

About 1-[5-(3-acetylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea

1-[5-(3-acetylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea (PubChem CID 90529700) has the molecular formula C20H24N4O4S2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 1-[5-(3-acetylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea.

Molecular Properties

• Compound Name: 1-[5-(3-acetylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea
• PubChem CID: 90529700
• Molecular Formula: C20H24N4O4S2
• Molecular Weight: 448.57 g/mol
• Exact Mass: 448.12
• IUPAC Name: 1-[5-(3-acetylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea
• SMILES: CC(=O)c1cccc(S(=O)(=O)N2CCc3nc(NC(=O)NC4CCCC4)sc3C2)c1
• InChI: InChI=1S/C20H24N4O4S2/c1-13(25)14-5-4-8-16(11-14)30(27,28)24-10-9-17-18(12-24)29-20(22-17)23-19(26)21-15-6-2-3-7-15/h4-5,8,11,15H,2-3,6-7,9-10,12H2,1H3,(H2,21,22,23,26)
• InChIKey: WHNYJWCMRGDDQQ-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 108.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.57
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-acetylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea?

The IUPAC name of 1-[5-(3-acetylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea (CID 90529700) is 1-[5-(3-acetylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea.

What is the SMILES notation for 1-[5-(3-acetylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea?

The canonical SMILES for 1-[5-(3-acetylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea is CC(=O)c1cccc(S(=O)(=O)N2CCc3nc(NC(=O)NC4CCCC4)sc3C2)c1.

What is the InChIKey of 1-[5-(3-acetylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea?

The InChIKey is WHNYJWCMRGDDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S2/c1-13(25)14-5-4-8-16(11-14)30(27,28)24-10-9-17-18(12-24)29-20(22-17)23-19(26)21-15-6-2-3-7-15/h4-5,8,11,15H,2-3,6-7,9-10,12H2,1H3,(H2,21,22,23,26).

What are the key properties of 1-[5-(3-acetylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea?

1-[5-(3-acetylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea has a molecular weight of 448.57 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(3-acetylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-cyclopentylurea is sourced from PubChem (CID 90529700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).