propan-2-yl N-[4-[5-[4-(1H-imidazol-2-ylamino)-2-sulfamoylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate

C22H28N6O4S2 — CID 155100749

About propan-2-yl N-[4-[5-[4-(1H-imidazol-2-ylamino)-2-sulfamoylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate

propan-2-yl N-[4-[5-[4-(1H-imidazol-2-ylamino)-2-sulfamoylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate (PubChem CID 155100749) has the molecular formula C22H28N6O4S2 and a molecular weight of 504.64 g/mol. Its IUPAC name is propan-2-yl N-[4-[5-[4-(1H-imidazol-2-ylamino)-2-sulfamoylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate.

Molecular Properties

• Compound Name: propan-2-yl N-[4-[5-[4-(1H-imidazol-2-ylamino)-2-sulfamoylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
• PubChem CID: 155100749
• Molecular Formula: C22H28N6O4S2
• Molecular Weight: 504.64 g/mol
• Exact Mass: 504.16
• IUPAC Name: propan-2-yl N-[4-[5-[4-(1H-imidazol-2-ylamino)-2-sulfamoylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate
• SMILES: CC(C)OC(=O)NC1CCC(c2ncc(-c3ccc(Nc4ncc[nH]4)cc3S(N)(=O)=O)s2)CC1
• InChI: InChI=1S/C22H28N6O4S2/c1-13(2)32-22(29)28-15-5-3-14(4-6-15)20-26-12-18(33-20)17-8-7-16(11-19(17)34(23,30)31)27-21-24-9-10-25-21/h7-15H,3-6H2,1-2H3,(H,28,29)(H2,23,30,31)(H2,24,25,27)
• InChIKey: DRJLLNYPRBEKLY-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 152.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.64
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[4-[5-[4-(1H-imidazol-2-ylamino)-2-sulfamoylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

The IUPAC name of propan-2-yl N-[4-[5-[4-(1H-imidazol-2-ylamino)-2-sulfamoylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate (CID 155100749) is propan-2-yl N-[4-[5-[4-(1H-imidazol-2-ylamino)-2-sulfamoylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate.

What is the SMILES notation for propan-2-yl N-[4-[5-[4-(1H-imidazol-2-ylamino)-2-sulfamoylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

The canonical SMILES for propan-2-yl N-[4-[5-[4-(1H-imidazol-2-ylamino)-2-sulfamoylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate is CC(C)OC(=O)NC1CCC(c2ncc(-c3ccc(Nc4ncc[nH]4)cc3S(N)(=O)=O)s2)CC1.

What is the InChIKey of propan-2-yl N-[4-[5-[4-(1H-imidazol-2-ylamino)-2-sulfamoylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

The InChIKey is DRJLLNYPRBEKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O4S2/c1-13(2)32-22(29)28-15-5-3-14(4-6-15)20-26-12-18(33-20)17-8-7-16(11-19(17)34(23,30)31)27-21-24-9-10-25-21/h7-15H,3-6H2,1-2H3,(H,28,29)(H2,23,30,31)(H2,24,25,27).

What are the key properties of propan-2-yl N-[4-[5-[4-(1H-imidazol-2-ylamino)-2-sulfamoylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate?

propan-2-yl N-[4-[5-[4-(1H-imidazol-2-ylamino)-2-sulfamoylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate has a molecular weight of 504.64 g/mol, XLogP of 4.09, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl N-[4-[5-[4-(1H-imidazol-2-ylamino)-2-sulfamoylphenyl]-1,3-thiazol-2-yl]cyclohexyl]carbamate is sourced from PubChem (CID 155100749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).