[4-[5-[2-cyclopropylsulfonyl-4-[(1,5-dimethylpyrazol-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl] carbamate

C24H29N5O4S2 — CID 175354474

About [4-[5-[2-cyclopropylsulfonyl-4-[(1,5-dimethylpyrazol-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl] carbamate

[4-[5-[2-cyclopropylsulfonyl-4-[(1,5-dimethylpyrazol-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl] carbamate (PubChem CID 175354474) has the molecular formula C24H29N5O4S2 and a molecular weight of 515.66 g/mol. Its IUPAC name is [4-[5-[2-cyclopropylsulfonyl-4-[(1,5-dimethylpyrazol-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl] carbamate.

Molecular Properties

• Compound Name: [4-[5-[2-cyclopropylsulfonyl-4-[(1,5-dimethylpyrazol-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl] carbamate
• PubChem CID: 175354474
• Molecular Formula: C24H29N5O4S2
• Molecular Weight: 515.66 g/mol
• Exact Mass: 515.17
• IUPAC Name: [4-[5-[2-cyclopropylsulfonyl-4-[(1,5-dimethylpyrazol-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl] carbamate
• SMILES: Cc1cc(Nc2ccc(-c3cnc(C4CCC(OC(N)=O)CC4)s3)c(S(=O)(=O)C3CC3)c2)nn1C
• InChI: InChI=1S/C24H29N5O4S2/c1-14-11-22(28-29(14)2)27-16-5-10-19(21(12-16)35(31,32)18-8-9-18)20-13-26-23(34-20)15-3-6-17(7-4-15)33-24(25)30/h5,10-13,15,17-18H,3-4,6-9H2,1-2H3,(H2,25,30)(H,27,28)
• InChIKey: SHCYQCWEDLPUKS-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 129.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.66
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [4-[5-[2-cyclopropylsulfonyl-4-[(1,5-dimethylpyrazol-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl] carbamate?

The IUPAC name of [4-[5-[2-cyclopropylsulfonyl-4-[(1,5-dimethylpyrazol-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl] carbamate (CID 175354474) is [4-[5-[2-cyclopropylsulfonyl-4-[(1,5-dimethylpyrazol-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl] carbamate.

What is the SMILES notation for [4-[5-[2-cyclopropylsulfonyl-4-[(1,5-dimethylpyrazol-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl] carbamate?

The canonical SMILES for [4-[5-[2-cyclopropylsulfonyl-4-[(1,5-dimethylpyrazol-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl] carbamate is Cc1cc(Nc2ccc(-c3cnc(C4CCC(OC(N)=O)CC4)s3)c(S(=O)(=O)C3CC3)c2)nn1C.

What is the InChIKey of [4-[5-[2-cyclopropylsulfonyl-4-[(1,5-dimethylpyrazol-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl] carbamate?

The InChIKey is SHCYQCWEDLPUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4S2/c1-14-11-22(28-29(14)2)27-16-5-10-19(21(12-16)35(31,32)18-8-9-18)20-13-26-23(34-20)15-3-6-17(7-4-15)33-24(25)30/h5,10-13,15,17-18H,3-4,6-9H2,1-2H3,(H2,25,30)(H,27,28).

What are the key properties of [4-[5-[2-cyclopropylsulfonyl-4-[(1,5-dimethylpyrazol-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl] carbamate?

[4-[5-[2-cyclopropylsulfonyl-4-[(1,5-dimethylpyrazol-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl] carbamate has a molecular weight of 515.66 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-[2-cyclopropylsulfonyl-4-[(1,5-dimethylpyrazol-3-yl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexyl] carbamate is sourced from PubChem (CID 175354474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).