N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide

C23H22ClN3O2S — CID 134009902

About N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide

N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 134009902) has the molecular formula C23H22ClN3O2S and a molecular weight of 439.97 g/mol. Its IUPAC name is N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
• PubChem CID: 134009902
• Molecular Formula: C23H22ClN3O2S
• Molecular Weight: 439.97 g/mol
• Exact Mass: 439.11
• IUPAC Name: N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
• SMILES: CC(=O)NC(C)c1ccc(-c2csc(NC(=O)C3CC3c3ccccc3Cl)n2)cc1
• InChI: InChI=1S/C23H22ClN3O2S/c1-13(25-14(2)28)15-7-9-16(10-8-15)21-12-30-23(26-21)27-22(29)19-11-18(19)17-5-3-4-6-20(17)24/h3-10,12-13,18-19H,11H2,1-2H3,(H,25,28)(H,26,27,29)
• InChIKey: ISZUWSPFODGMLN-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.97
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide?

The IUPAC name of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide (CID 134009902) is N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide.

What is the SMILES notation for N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide?

The canonical SMILES for N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide is CC(=O)NC(C)c1ccc(-c2csc(NC(=O)C3CC3c3ccccc3Cl)n2)cc1.

What is the InChIKey of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide?

The InChIKey is ISZUWSPFODGMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O2S/c1-13(25-14(2)28)15-7-9-16(10-8-15)21-12-30-23(26-21)27-22(29)19-11-18(19)17-5-3-4-6-20(17)24/h3-10,12-13,18-19H,11H2,1-2H3,(H,25,28)(H,26,27,29).

What are the key properties of N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide?

N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 439.97 g/mol, XLogP of 5.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 134009902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).