[4-[5-[2-cyclopropylsulfonyl-4-(pyridin-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid

C24H26N4O4S2 — CID 175354308

About [4-[5-[2-cyclopropylsulfonyl-4-(pyridin-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid

[4-[5-[2-cyclopropylsulfonyl-4-(pyridin-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid (PubChem CID 175354308) has the molecular formula C24H26N4O4S2 and a molecular weight of 498.63 g/mol. Its IUPAC name is [4-[5-[2-cyclopropylsulfonyl-4-(pyridin-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid.

Molecular Properties

• Compound Name: [4-[5-[2-cyclopropylsulfonyl-4-(pyridin-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid
• PubChem CID: 175354308
• Molecular Formula: C24H26N4O4S2
• Molecular Weight: 498.63 g/mol
• Exact Mass: 498.14
• IUPAC Name: [4-[5-[2-cyclopropylsulfonyl-4-(pyridin-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid
• SMILES: O=C(O)NC1CCC(c2ncc(-c3ccc(Nc4ccccn4)cc3S(=O)(=O)C3CC3)s2)CC1
• InChI: InChI=1S/C24H26N4O4S2/c29-24(30)28-16-6-4-15(5-7-16)23-26-14-20(33-23)19-11-8-17(27-22-3-1-2-12-25-22)13-21(19)34(31,32)18-9-10-18/h1-3,8,11-16,18,28H,4-7,9-10H2,(H,25,27)(H,29,30)
• InChIKey: AAQXTWOHHSTHDQ-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 121.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.63
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[5-[2-cyclopropylsulfonyl-4-(pyridin-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid?

The IUPAC name of [4-[5-[2-cyclopropylsulfonyl-4-(pyridin-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid (CID 175354308) is [4-[5-[2-cyclopropylsulfonyl-4-(pyridin-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid.

What is the SMILES notation for [4-[5-[2-cyclopropylsulfonyl-4-(pyridin-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid?

The canonical SMILES for [4-[5-[2-cyclopropylsulfonyl-4-(pyridin-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid is O=C(O)NC1CCC(c2ncc(-c3ccc(Nc4ccccn4)cc3S(=O)(=O)C3CC3)s2)CC1.

What is the InChIKey of [4-[5-[2-cyclopropylsulfonyl-4-(pyridin-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid?

The InChIKey is AAQXTWOHHSTHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4S2/c29-24(30)28-16-6-4-15(5-7-16)23-26-14-20(33-23)19-11-8-17(27-22-3-1-2-12-25-22)13-21(19)34(31,32)18-9-10-18/h1-3,8,11-16,18,28H,4-7,9-10H2,(H,25,27)(H,29,30).

What are the key properties of [4-[5-[2-cyclopropylsulfonyl-4-(pyridin-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid?

[4-[5-[2-cyclopropylsulfonyl-4-(pyridin-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid has a molecular weight of 498.63 g/mol, XLogP of 5.18, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-[2-cyclopropylsulfonyl-4-(pyridin-2-ylamino)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamic acid is sourced from PubChem (CID 175354308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).