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

C18H24N4O3S2 — CID 90530215

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

1-[5-(4-ethylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea (PubChem CID 90530215) has the molecular formula C18H24N4O3S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-[5-(4-ethylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea.

Molecular Properties

• Compound Name: 1-[5-(4-ethylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
• PubChem CID: 90530215
• Molecular Formula: C18H24N4O3S2
• Molecular Weight: 408.55 g/mol
• Exact Mass: 408.13
• IUPAC Name: 1-[5-(4-ethylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
• SMILES: CCc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)NC(C)C)sc3C2)cc1
• InChI: InChI=1S/C18H24N4O3S2/c1-4-13-5-7-14(8-6-13)27(24,25)22-10-9-15-16(11-22)26-18(20-15)21-17(23)19-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H2,19,20,21,23)
• InChIKey: SSBVEUQGWSJIEW-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 91.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.55
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[5-(4-ethylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea (CID 90530215) is 1-[5-(4-ethylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea.

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

The canonical SMILES for 1-[5-(4-ethylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea is CCc1ccc(S(=O)(=O)N2CCc3nc(NC(=O)NC(C)C)sc3C2)cc1.

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

The InChIKey is SSBVEUQGWSJIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S2/c1-4-13-5-7-14(8-6-13)27(24,25)22-10-9-15-16(11-22)26-18(20-15)21-17(23)19-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H2,19,20,21,23).

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

1-[5-(4-ethylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea has a molecular weight of 408.55 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(4-ethylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea is sourced from PubChem (CID 90530215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).