2-(2-chlorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide

C17H17ClN4OS — CID 49379077

IUPAC2-(2-chlorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide
SMILESCC(CNC(=O)c1cnc(-c2ccccc2Cl)s1)Cn1cccn1
InChIInChI=1S/C17H17ClN4OS/c1-12(11-22-8-4-7-21-22)9-19-16(23)15-10-20-17(24-15)13-5-2-3-6-14(13)18/h2-8,10,12H,9,11H2,1H3,(H,19,23)
InChIKeyZCUKXDAQDGMPDC-UHFFFAOYSA-N
MW360.87 g/mol
LogP3.73
Rot. Bonds6

About 2-(2-chlorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide

2-(2-chlorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide (PubChem CID 49379077) has the molecular formula C17H17ClN4OS and a molecular weight of 360.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide
PubChem CID49379077
Molecular FormulaC17H17ClN4OS
Molecular Weight360.87 g/mol
Exact Mass360.08
IUPAC Name2-(2-chlorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide
SMILESCC(CNC(=O)c1cnc(-c2ccccc2Cl)s1)Cn1cccn1
InChIInChI=1S/C17H17ClN4OS/c1-12(11-22-8-4-7-21-22)9-19-16(23)15-10-20-17(24-15)13-5-2-3-6-14(13)18/h2-8,10,12H,9,11H2,1H3,(H,19,23)
InChIKeyZCUKXDAQDGMPDC-UHFFFAOYSA-N
XLogP3.73
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide (CID 49379077) is 2-(2-chlorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide is CC(CNC(=O)c1cnc(-c2ccccc2Cl)s1)Cn1cccn1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is ZCUKXDAQDGMPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4OS/c1-12(11-22-8-4-7-21-22)9-19-16(23)15-10-20-17(24-15)13-5-2-3-6-14(13)18/h2-8,10,12H,9,11H2,1H3,(H,19,23).
What are the key properties of 2-(2-chlorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide?
2-(2-chlorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 360.87 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49379077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).