2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide

C19H19ClN4OS2 — CID 30184342

IUPAC2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(CN2CCCCC2)cs1)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H19ClN4OS2/c20-14-6-4-13(5-7-14)18-22-16(12-26-18)17(25)23-19-21-15(11-27-19)10-24-8-2-1-3-9-24/h4-7,11-12H,1-3,8-10H2,(H,21,23,25)
InChIKeyPLCFGBJIQALWLI-UHFFFAOYSA-N
MW418.98 g/mol
LogP5.16
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide

2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 30184342) has the molecular formula C19H19ClN4OS2 and a molecular weight of 418.98 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID30184342
Molecular FormulaC19H19ClN4OS2
Molecular Weight418.98 g/mol
Exact Mass418.07
IUPAC Name2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(CN2CCCCC2)cs1)c1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H19ClN4OS2/c20-14-6-4-13(5-7-14)18-22-16(12-26-18)17(25)23-19-21-15(11-27-19)10-24-8-2-1-3-9-24/h4-7,11-12H,1-3,8-10H2,(H,21,23,25)
InChIKeyPLCFGBJIQALWLI-UHFFFAOYSA-N
XLogP5.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.98
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-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

Related Compounds

1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119906545
2-hydroxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 134051886
5-bromo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 78775861
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 17477064
3-[[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid
CID 138001675
4-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182781
3-fluoro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 154737418
2-chloro-5-nitro-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 78775864
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-pyrrol-1-ylbenzamide
CID 30183729
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9169455
5-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2H-triazole-4-carboxamide
CID 126781218
2-(4-chlorophenyl)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 56552077

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide (CID 30184342) is 2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide is O=C(Nc1nc(CN2CCCCC2)cs1)c1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is PLCFGBJIQALWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4OS2/c20-14-6-4-13(5-7-14)18-22-16(12-26-18)17(25)23-19-21-15(11-27-19)10-24-8-2-1-3-9-24/h4-7,11-12H,1-3,8-10H2,(H,21,23,25).
What are the key properties of 2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide?
2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 418.98 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 30184342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).