propan-2-yl N-[4-[5-(2-cyclopropylsulfonyl-4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate

C25H30N4O4S2 — CID 166513657

About propan-2-yl N-[4-[5-(2-cyclopropylsulfonyl-4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate

propan-2-yl N-[4-[5-(2-cyclopropylsulfonyl-4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate (PubChem CID 166513657) has the molecular formula C25H30N4O4S2 and a molecular weight of 514.67 g/mol. Its IUPAC name is propan-2-yl N-[4-[5-(2-cyclopropylsulfonyl-4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate.

Molecular Properties

• Compound Name: propan-2-yl N-[4-[5-(2-cyclopropylsulfonyl-4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate
• PubChem CID: 166513657
• Molecular Formula: C25H30N4O4S2
• Molecular Weight: 514.67 g/mol
• Exact Mass: 514.17
• IUPAC Name: propan-2-yl N-[4-[5-(2-cyclopropylsulfonyl-4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate
• SMILES: CC(C)OC(=O)NC1CCC(c2ncc(-c3ccc(-n4cccn4)cc3S(=O)(=O)C3CC3)s2)CC1
• InChI: InChI=1S/C25H30N4O4S2/c1-16(2)33-25(30)28-18-6-4-17(5-7-18)24-26-15-22(34-24)21-11-8-19(29-13-3-12-27-29)14-23(21)35(31,32)20-9-10-20/h3,8,11-18,20H,4-7,9-10H2,1-2H3,(H,28,30)
• InChIKey: CPKNXVVWEPLWOQ-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 103.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.67
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[5-(2-cyclopropylsulfonyl-4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate?

The IUPAC name of propan-2-yl N-[4-[5-(2-cyclopropylsulfonyl-4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate (CID 166513657) is propan-2-yl N-[4-[5-(2-cyclopropylsulfonyl-4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate.

What is the SMILES notation for propan-2-yl N-[4-[5-(2-cyclopropylsulfonyl-4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate?

The canonical SMILES for propan-2-yl N-[4-[5-(2-cyclopropylsulfonyl-4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate is CC(C)OC(=O)NC1CCC(c2ncc(-c3ccc(-n4cccn4)cc3S(=O)(=O)C3CC3)s2)CC1.

What is the InChIKey of propan-2-yl N-[4-[5-(2-cyclopropylsulfonyl-4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate?

The InChIKey is CPKNXVVWEPLWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S2/c1-16(2)33-25(30)28-18-6-4-17(5-7-18)24-26-15-22(34-24)21-11-8-19(29-13-3-12-27-29)14-23(21)35(31,32)20-9-10-20/h3,8,11-18,20H,4-7,9-10H2,1-2H3,(H,28,30).

What are the key properties of propan-2-yl N-[4-[5-(2-cyclopropylsulfonyl-4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate?

propan-2-yl N-[4-[5-(2-cyclopropylsulfonyl-4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate has a molecular weight of 514.67 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl N-[4-[5-(2-cyclopropylsulfonyl-4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate is sourced from PubChem (CID 166513657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).