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

C16H19ClN4OS — CID 53161118

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)c1csc(N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C16H19ClN4OS/c1-19(2)15(22)14-11-23-16(18-14)21-8-6-20(7-9-21)13-5-3-4-12(17)10-13/h3-5,10-11H,6-9H2,1-2H3
InChIKeyTZICORPEMMYTOK-UHFFFAOYSA-N
MW350.88 g/mol
LogP2.82
Rot. Bonds3

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

2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide (PubChem CID 53161118) has the molecular formula C16H19ClN4OS and a molecular weight of 350.88 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide
PubChem CID53161118
Molecular FormulaC16H19ClN4OS
Molecular Weight350.88 g/mol
Exact Mass350.10
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)c1csc(N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C16H19ClN4OS/c1-19(2)15(22)14-11-23-16(18-14)21-8-6-20(7-9-21)13-5-3-4-12(17)10-13/h3-5,10-11H,6-9H2,1-2H3
InChIKeyTZICORPEMMYTOK-UHFFFAOYSA-N
XLogP2.82
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.88
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide (CID 53161118) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide is CN(C)C(=O)c1csc(N2CCN(c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide?
The InChIKey is TZICORPEMMYTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4OS/c1-19(2)15(22)14-11-23-16(18-14)21-8-6-20(7-9-21)13-5-3-4-12(17)10-13/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide?
2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide has a molecular weight of 350.88 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53161118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).