propan-2-yl N-[4-[5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(oxolan-3-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate

C27H35N5O5S2 — CID 156832506

About propan-2-yl N-[4-[5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(oxolan-3-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate

propan-2-yl N-[4-[5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(oxolan-3-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate (PubChem CID 156832506) has the molecular formula C27H35N5O5S2 and a molecular weight of 573.74 g/mol. Its IUPAC name is propan-2-yl N-[4-[5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(oxolan-3-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate.

Molecular Properties

• Compound Name: propan-2-yl N-[4-[5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(oxolan-3-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
• PubChem CID: 156832506
• Molecular Formula: C27H35N5O5S2
• Molecular Weight: 573.74 g/mol
• Exact Mass: 573.21
• IUPAC Name: propan-2-yl N-[4-[5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(oxolan-3-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
• SMILES: Cc1cc(Nc2ccc(-c3cnc(C4CCC(NC(=O)OC(C)C)CC4)s3)c(S(=O)(=O)C3CCOC3)c2)n[nH]1
• InChI: InChI=1S/C27H35N5O5S2/c1-16(2)37-27(33)30-19-6-4-18(5-7-19)26-28-14-23(38-26)22-9-8-20(29-25-12-17(3)31-32-25)13-24(22)39(34,35)21-10-11-36-15-21/h8-9,12-14,16,18-19,21H,4-7,10-11,15H2,1-3H3,(H,30,33)(H2,29,31,32)
• InChIKey: RCXCRRNXQGXBSI-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 135.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.74
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(oxolan-3-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

The IUPAC name of propan-2-yl N-[4-[5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(oxolan-3-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate (CID 156832506) is propan-2-yl N-[4-[5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(oxolan-3-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate.

What is the SMILES notation for propan-2-yl N-[4-[5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(oxolan-3-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

The canonical SMILES for propan-2-yl N-[4-[5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(oxolan-3-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate is Cc1cc(Nc2ccc(-c3cnc(C4CCC(NC(=O)OC(C)C)CC4)s3)c(S(=O)(=O)C3CCOC3)c2)n[nH]1.

What is the InChIKey of propan-2-yl N-[4-[5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(oxolan-3-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

The InChIKey is RCXCRRNXQGXBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O5S2/c1-16(2)37-27(33)30-19-6-4-18(5-7-19)26-28-14-23(38-26)22-9-8-20(29-25-12-17(3)31-32-25)13-24(22)39(34,35)21-10-11-36-15-21/h8-9,12-14,16,18-19,21H,4-7,10-11,15H2,1-3H3,(H,30,33)(H2,29,31,32).

What are the key properties of propan-2-yl N-[4-[5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(oxolan-3-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

propan-2-yl N-[4-[5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(oxolan-3-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate has a molecular weight of 573.74 g/mol, XLogP of 5.31, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl N-[4-[5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-(oxolan-3-ylsulfonyl)phenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate is sourced from PubChem (CID 156832506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).