2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

C13H18N4O2S — CID 50745193

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(C)n(-c2nc(C)c(C(=O)N(C)CCO)s2)n1
InChIInChI=1S/C13H18N4O2S/c1-8-7-9(2)17(15-8)13-14-10(3)11(20-13)12(19)16(4)5-6-18/h7,18H,5-6H2,1-4H3
InChIKeyBJRYNGLYHGISNW-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.32
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 50745193) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID50745193
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(C)n(-c2nc(C)c(C(=O)N(C)CCO)s2)n1
InChIInChI=1S/C13H18N4O2S/c1-8-7-9(2)17(15-8)13-14-10(3)11(20-13)12(19)16(4)5-6-18/h7,18H,5-6H2,1-4H3
InChIKeyBJRYNGLYHGISNW-UHFFFAOYSA-N
XLogP1.32
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 50745193) is 2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1cc(C)n(-c2nc(C)c(C(=O)N(C)CCO)s2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is BJRYNGLYHGISNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-8-7-9(2)17(15-8)13-14-10(3)11(20-13)12(19)16(4)5-6-18/h7,18H,5-6H2,1-4H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 50745193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).