N-cyclohexyl-2-[[(2-ethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide

C23H32N4O2S — CID 42769670

About N-cyclohexyl-2-[[(2-ethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide

N-cyclohexyl-2-[[(2-ethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 42769670) has the molecular formula C23H32N4O2S and a molecular weight of 428.60 g/mol. Its IUPAC name is N-cyclohexyl-2-[[(2-ethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-cyclohexyl-2-[[(2-ethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide
• PubChem CID: 42769670
• Molecular Formula: C23H32N4O2S
• Molecular Weight: 428.60 g/mol
• Exact Mass: 428.22
• IUPAC Name: N-cyclohexyl-2-[[(2-ethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide
• SMILES: CCc1ccccc1NC(=O)N(Cc1nc(C(=O)NC2CCCCC2)cs1)C(C)C
• InChI: InChI=1S/C23H32N4O2S/c1-4-17-10-8-9-13-19(17)26-23(29)27(16(2)3)14-21-25-20(15-30-21)22(28)24-18-11-6-5-7-12-18/h8-10,13,15-16,18H,4-7,11-12,14H2,1-3H3,(H,24,28)(H,26,29)
• InChIKey: PTWHUVZBADAEQN-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.60
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[(2-ethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of N-cyclohexyl-2-[[(2-ethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide (CID 42769670) is N-cyclohexyl-2-[[(2-ethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-cyclohexyl-2-[[(2-ethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-cyclohexyl-2-[[(2-ethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide is CCc1ccccc1NC(=O)N(Cc1nc(C(=O)NC2CCCCC2)cs1)C(C)C.

What is the InChIKey of N-cyclohexyl-2-[[(2-ethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide?

The InChIKey is PTWHUVZBADAEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2S/c1-4-17-10-8-9-13-19(17)26-23(29)27(16(2)3)14-21-25-20(15-30-21)22(28)24-18-11-6-5-7-12-18/h8-10,13,15-16,18H,4-7,11-12,14H2,1-3H3,(H,24,28)(H,26,29).

What are the key properties of N-cyclohexyl-2-[[(2-ethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide?

N-cyclohexyl-2-[[(2-ethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 428.60 g/mol, XLogP of 5.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-2-[[(2-ethylphenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 42769670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).