2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-ethyl-1,3-thiazole-4-carboxamide

C17H21ClN4OS — CID 46043726

IUPAC2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(CN2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C17H21ClN4OS/c1-2-19-17(23)15-12-24-16(20-15)11-21-6-8-22(9-7-21)14-5-3-4-13(18)10-14/h3-5,10,12H,2,6-9,11H2,1H3,(H,19,23)
InChIKeyVXZBWKBXCZTCNP-UHFFFAOYSA-N
MW364.90 g/mol
LogP2.87
Rot. Bonds5

About 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-ethyl-1,3-thiazole-4-carboxamide

2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-ethyl-1,3-thiazole-4-carboxamide (PubChem CID 46043726) has the molecular formula C17H21ClN4OS and a molecular weight of 364.90 g/mol. Its IUPAC name is 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-ethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-ethyl-1,3-thiazole-4-carboxamide
PubChem CID46043726
Molecular FormulaC17H21ClN4OS
Molecular Weight364.90 g/mol
Exact Mass364.11
IUPAC Name2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(CN2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C17H21ClN4OS/c1-2-19-17(23)15-12-24-16(20-15)11-21-6-8-22(9-7-21)14-5-3-4-13(18)10-14/h3-5,10,12H,2,6-9,11H2,1H3,(H,19,23)
InChIKeyVXZBWKBXCZTCNP-UHFFFAOYSA-N
XLogP2.87
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Piperazine amide, 6c
CID 44236961
Piperazine amide, 6d
CID 44236962
Piperazine amide, 6h
CID 44236965
2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 1096742
2-(4-chlorophenyl)-N-(4-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 70685387
[2-(4-Chloroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 71818278
[2-(4-Chloro-2-fluoroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 71818280
[4-(4-Chlorophenyl)piperazin-1-yl]-(2-ethynyl-1,3-thiazol-4-yl)methanone
CID 168275179
N-(4-chlorophenyl)-2-ethynyl-1,3-thiazole-4-carboxamide
CID 168290066
N-(2-piperazin-1-ylphenyl)-2-prop-1-ynyl-1,3-thiazole-4-carboxamide
CID 70696492
[2-(2-Chloroanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 71818279
N-(2-chlorophenyl)-2-[methyl-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]acetamide
CID 8304066

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-ethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-ethyl-1,3-thiazole-4-carboxamide (CID 46043726) is 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-ethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-ethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-ethyl-1,3-thiazole-4-carboxamide is CCNC(=O)c1csc(CN2CCN(c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-ethyl-1,3-thiazole-4-carboxamide?
The InChIKey is VXZBWKBXCZTCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4OS/c1-2-19-17(23)15-12-24-16(20-15)11-21-6-8-22(9-7-21)14-5-3-4-13(18)10-14/h3-5,10,12H,2,6-9,11H2,1H3,(H,19,23).
What are the key properties of 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-ethyl-1,3-thiazole-4-carboxamide?
2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-ethyl-1,3-thiazole-4-carboxamide has a molecular weight of 364.90 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-ethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46043726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).