N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methyl-1,2-thiazole-4-carboxamide

C17H18N4O2S — CID 110027521

IUPACN-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1ccccc1-c1cc(NC(=O)c2csnc2C)n(CCO)n1
InChIInChI=1S/C17H18N4O2S/c1-11-5-3-4-6-13(11)15-9-16(21(19-15)7-8-22)18-17(23)14-10-24-20-12(14)2/h3-6,9-10,22H,7-8H2,1-2H3,(H,18,23)
InChIKeyKVVNZPVGHMXTPT-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.87
Rot. Bonds5

About N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methyl-1,2-thiazole-4-carboxamide

N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methyl-1,2-thiazole-4-carboxamide (PubChem CID 110027521) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methyl-1,2-thiazole-4-carboxamide
PubChem CID110027521
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methyl-1,2-thiazole-4-carboxamide
SMILESCc1ccccc1-c1cc(NC(=O)c2csnc2C)n(CCO)n1
InChIInChI=1S/C17H18N4O2S/c1-11-5-3-4-6-13(11)15-9-16(21(19-15)7-8-22)18-17(23)14-10-24-20-12(14)2/h3-6,9-10,22H,7-8H2,1-2H3,(H,18,23)
InChIKeyKVVNZPVGHMXTPT-UHFFFAOYSA-N
XLogP2.87
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methyl-1,2-thiazole-4-carboxamide?
The IUPAC name of N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methyl-1,2-thiazole-4-carboxamide (CID 110027521) is N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methyl-1,2-thiazole-4-carboxamide is Cc1ccccc1-c1cc(NC(=O)c2csnc2C)n(CCO)n1.
What is the InChIKey of N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methyl-1,2-thiazole-4-carboxamide?
The InChIKey is KVVNZPVGHMXTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-11-5-3-4-6-13(11)15-9-16(21(19-15)7-8-22)18-17(23)14-10-24-20-12(14)2/h3-6,9-10,22H,7-8H2,1-2H3,(H,18,23).
What are the key properties of N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methyl-1,2-thiazole-4-carboxamide?
N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methyl-1,2-thiazole-4-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-3-methyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 110027521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).