N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide

C18H23ClN4OS — CID 155543855

IUPACN-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1sc(N2CCN(C)CC2)nc1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H23ClN4OS/c1-12(2)16-15(17(24)20-14-7-5-4-6-13(14)19)21-18(25-16)23-10-8-22(3)9-11-23/h4-7,12H,8-11H2,1-3H3,(H,20,24)
InChIKeyBMGLXRVZDUHLCH-UHFFFAOYSA-N
MW378.93 g/mol
LogP3.92
Rot. Bonds4

About N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide

N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 155543855) has the molecular formula C18H23ClN4OS and a molecular weight of 378.93 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID155543855
Molecular FormulaC18H23ClN4OS
Molecular Weight378.93 g/mol
Exact Mass378.13
IUPAC NameN-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)c1sc(N2CCN(C)CC2)nc1C(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H23ClN4OS/c1-12(2)16-15(17(24)20-14-7-5-4-6-13(14)19)21-18(25-16)23-10-8-22(3)9-11-23/h4-7,12H,8-11H2,1-3H3,(H,20,24)
InChIKeyBMGLXRVZDUHLCH-UHFFFAOYSA-N
XLogP3.92
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide (CID 155543855) is N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)c1sc(N2CCN(C)CC2)nc1C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is BMGLXRVZDUHLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4OS/c1-12(2)16-15(17(24)20-14-7-5-4-6-13(14)19)21-18(25-16)23-10-8-22(3)9-11-23/h4-7,12H,8-11H2,1-3H3,(H,20,24).
What are the key properties of N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide?
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 378.93 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 155543855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).