4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

C16H19ClN4OS — CID 145420120

IUPAC4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)s1
InChIInChI=1S/C16H19ClN4OS/c1-11-3-4-13(9-14(11)17)20-5-7-21(8-6-20)16(22)19-15-18-10-12(2)23-15/h3-4,9-10H,5-8H2,1-2H3,(H,18,19,22)
InChIKeyYPRWQXHTHVXPIC-UHFFFAOYSA-N
MW350.88 g/mol
LogP3.77
Rot. Bonds2

About 4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 145420120) has the molecular formula C16H19ClN4OS and a molecular weight of 350.88 g/mol. Its IUPAC name is 4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID145420120
Molecular FormulaC16H19ClN4OS
Molecular Weight350.88 g/mol
Exact Mass350.10
IUPAC Name4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCc1cnc(NC(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)s1
InChIInChI=1S/C16H19ClN4OS/c1-11-3-4-13(9-14(11)17)20-5-7-21(8-6-20)16(22)19-15-18-10-12(2)23-15/h3-4,9-10H,5-8H2,1-2H3,(H,18,19,22)
InChIKeyYPRWQXHTHVXPIC-UHFFFAOYSA-N
XLogP3.77
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.88
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 145420120) is 4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is Cc1cnc(NC(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)s1.
What is the InChIKey of 4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is YPRWQXHTHVXPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4OS/c1-11-3-4-13(9-14(11)17)20-5-7-21(8-6-20)16(22)19-15-18-10-12(2)23-15/h3-4,9-10H,5-8H2,1-2H3,(H,18,19,22).
What are the key properties of 4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 350.88 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 145420120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).