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

C26H27N5O4S2 — CID 167262272

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

propan-2-yl N-[4-[5-[2-cyclopropylsulfonyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate (PubChem CID 167262272) has the molecular formula C26H27N5O4S2 and a molecular weight of 537.67 g/mol. Its IUPAC name is propan-2-yl N-[4-[5-[2-cyclopropylsulfonyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: propan-2-yl N-[4-[5-[2-cyclopropylsulfonyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate
• PubChem CID: 167262272
• Molecular Formula: C26H27N5O4S2
• Molecular Weight: 537.67 g/mol
• Exact Mass: 537.15
• IUPAC Name: propan-2-yl N-[4-[5-[2-cyclopropylsulfonyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate
• SMILES: Cc1cc(Nc2ccc(-c3cnc(-c4ccc(NC(=O)OC(C)C)cc4)s3)c(S(=O)(=O)C3CC3)c2)n[nH]1
• InChI: InChI=1S/C26H27N5O4S2/c1-15(2)35-26(32)29-18-6-4-17(5-7-18)25-27-14-22(36-25)21-11-8-19(28-24-12-16(3)30-31-24)13-23(21)37(33,34)20-9-10-20/h4-8,11-15,20H,9-10H2,1-3H3,(H,29,32)(H2,28,30,31)
• InChIKey: SFFNSBBORHTKDS-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 126.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.67
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of propan-2-yl N-[4-[5-[2-cyclopropylsulfonyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate (CID 167262272) is propan-2-yl N-[4-[5-[2-cyclopropylsulfonyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate.

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

The canonical SMILES for propan-2-yl N-[4-[5-[2-cyclopropylsulfonyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate is Cc1cc(Nc2ccc(-c3cnc(-c4ccc(NC(=O)OC(C)C)cc4)s3)c(S(=O)(=O)C3CC3)c2)n[nH]1.

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

The InChIKey is SFFNSBBORHTKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4S2/c1-15(2)35-26(32)29-18-6-4-17(5-7-18)25-27-14-22(36-25)21-11-8-19(28-24-12-16(3)30-31-24)13-23(21)37(33,34)20-9-10-20/h4-8,11-15,20H,9-10H2,1-3H3,(H,29,32)(H2,28,30,31).

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

propan-2-yl N-[4-[5-[2-cyclopropylsulfonyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate has a molecular weight of 537.67 g/mol, XLogP of 6.15, 8 rotatable bonds, 3 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-[(5-methyl-1H-pyrazol-3-yl)amino]phenyl]-1,3-thiazol-2-yl]phenyl]carbamate is sourced from PubChem (CID 167262272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).