propan-2-yl N-[4-[5-(4-methyl-2-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate

C23H32N2O2S2 — CID 167262003

About propan-2-yl N-[4-[5-(4-methyl-2-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate

propan-2-yl N-[4-[5-(4-methyl-2-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate (PubChem CID 167262003) has the molecular formula C23H32N2O2S2 and a molecular weight of 432.66 g/mol. Its IUPAC name is propan-2-yl N-[4-[5-(4-methyl-2-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate.

Molecular Properties

• Compound Name: propan-2-yl N-[4-[5-(4-methyl-2-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate
• PubChem CID: 167262003
• Molecular Formula: C23H32N2O2S2
• Molecular Weight: 432.66 g/mol
• Exact Mass: 432.19
• IUPAC Name: propan-2-yl N-[4-[5-(4-methyl-2-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate
• SMILES: Cc1ccc(-c2cnc(C3CCC(NC(=O)OC(C)C)CC3)s2)c(SC(C)C)c1
• InChI: InChI=1S/C23H32N2O2S2/c1-14(2)27-23(26)25-18-9-7-17(8-10-18)22-24-13-21(29-22)19-11-6-16(5)12-20(19)28-15(3)4/h6,11-15,17-18H,7-10H2,1-5H3,(H,25,26)
• InChIKey: MXVCFMVDJVQGSV-UHFFFAOYSA-N
• XLogP: 6.78
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.66
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of propan-2-yl N-[4-[5-(4-methyl-2-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate (CID 167262003) is propan-2-yl N-[4-[5-(4-methyl-2-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate.

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

The canonical SMILES for propan-2-yl N-[4-[5-(4-methyl-2-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate is Cc1ccc(-c2cnc(C3CCC(NC(=O)OC(C)C)CC3)s2)c(SC(C)C)c1.

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

The InChIKey is MXVCFMVDJVQGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2S2/c1-14(2)27-23(26)25-18-9-7-17(8-10-18)22-24-13-21(29-22)19-11-6-16(5)12-20(19)28-15(3)4/h6,11-15,17-18H,7-10H2,1-5H3,(H,25,26).

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

propan-2-yl N-[4-[5-(4-methyl-2-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate has a molecular weight of 432.66 g/mol, XLogP of 6.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl N-[4-[5-(4-methyl-2-propan-2-ylsulfanylphenyl)-1,3-thiazol-2-yl]cyclohexyl]carbamate is sourced from PubChem (CID 167262003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).