2-(2-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide

C17H21ClN4OS — CID 119392076

IUPAC2-(2-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCCN1CCNCC1)c1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C17H21ClN4OS/c18-14-5-2-1-4-13(14)17-21-15(12-24-17)16(23)20-6-3-9-22-10-7-19-8-11-22/h1-2,4-5,12,19H,3,6-11H2,(H,20,23)
InChIKeyIZPWIWPLDRNURO-UHFFFAOYSA-N
MW364.90 g/mol
LogP2.49
Rot. Bonds6

About 2-(2-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide

2-(2-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide (PubChem CID 119392076) has the molecular formula C17H21ClN4OS and a molecular weight of 364.90 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide
PubChem CID119392076
Molecular FormulaC17H21ClN4OS
Molecular Weight364.90 g/mol
Exact Mass364.11
IUPAC Name2-(2-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCCCN1CCNCC1)c1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C17H21ClN4OS/c18-14-5-2-1-4-13(14)17-21-15(12-24-17)16(23)20-6-3-9-22-10-7-19-8-11-22/h1-2,4-5,12,19H,3,6-11H2,(H,20,23)
InChIKeyIZPWIWPLDRNURO-UHFFFAOYSA-N
XLogP2.49
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 119393747
2-(furan-3-yl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119394566
2-(2-chlorophenyl)-N-[3-(methylamino)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119431166
2-(4-nitrophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119393005
N-(3-piperazin-1-ylpropyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119392029
[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119401434
3-chloro-N-(3-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 80642347
N-(3-piperazin-1-ylpropyl)-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119393049
2-(2-chlorophenyl)-N-(2-piperidin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 119556621
N-(2-piperazin-1-ylethyl)-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 119448939
N-(3-piperazin-1-ylpropyl)thiadiazole-4-carboxamide
CID 65216494
2,3-dichloro-N-(3-piperazin-1-ylpropyl)benzamide
CID 43443287

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide (CID 119392076) is 2-(2-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide is O=C(NCCCN1CCNCC1)c1csc(-c2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is IZPWIWPLDRNURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4OS/c18-14-5-2-1-4-13(14)17-21-15(12-24-17)16(23)20-6-3-9-22-10-7-19-8-11-22/h1-2,4-5,12,19H,3,6-11H2,(H,20,23).
What are the key properties of 2-(2-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide?
2-(2-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 364.90 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(3-piperazin-1-ylpropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119392076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).