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

C18H23ClN4OS — CID 71840346

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCN(C)C(=O)c1csc(N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C18H23ClN4OS/c1-3-7-21(2)17(24)16-13-25-18(20-16)23-10-8-22(9-11-23)15-6-4-5-14(19)12-15/h4-6,12-13H,3,7-11H2,1-2H3
InChIKeyDVGXCFJBBIXCJS-UHFFFAOYSA-N
MW378.93 g/mol
LogP3.61
Rot. Bonds5

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

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-propyl-1,3-thiazole-4-carboxamide (PubChem CID 71840346) has the molecular formula C18H23ClN4OS and a molecular weight of 378.93 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-propyl-1,3-thiazole-4-carboxamide
PubChem CID71840346
Molecular FormulaC18H23ClN4OS
Molecular Weight378.93 g/mol
Exact Mass378.13
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCN(C)C(=O)c1csc(N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C18H23ClN4OS/c1-3-7-21(2)17(24)16-13-25-18(20-16)23-10-8-22(9-11-23)15-6-4-5-14(19)12-15/h4-6,12-13H,3,7-11H2,1-2H3
InChIKeyDVGXCFJBBIXCJS-UHFFFAOYSA-N
XLogP3.61
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.93
LogP ≤ 53.61
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-methyl-N-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-propyl-1,3-thiazole-4-carboxamide (CID 71840346) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-propyl-1,3-thiazole-4-carboxamide is CCCN(C)C(=O)c1csc(N2CCN(c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is DVGXCFJBBIXCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4OS/c1-3-7-21(2)17(24)16-13-25-18(20-16)23-10-8-22(9-11-23)15-6-4-5-14(19)12-15/h4-6,12-13H,3,7-11H2,1-2H3.
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-propyl-1,3-thiazole-4-carboxamide?
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-N-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 378.93 g/mol, XLogP of 3.61, 5 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-methyl-N-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71840346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).