N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C12H12N6O2S — CID 171600710

IUPACN-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(NC(=O)c2csc(-c3cn[nH]c3)n2)c(CO)n1
InChIInChI=1S/C12H12N6O2S/c1-18-4-8(9(5-19)17-18)15-11(20)10-6-21-12(16-10)7-2-13-14-3-7/h2-4,6,19H,5H2,1H3,(H,13,14)(H,15,20)
InChIKeyVNOJBRNJLGCRFO-UHFFFAOYSA-N
MW304.34 g/mol
LogP1.01
Rot. Bonds4

About N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 171600710) has the molecular formula C12H12N6O2S and a molecular weight of 304.34 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID171600710
Molecular FormulaC12H12N6O2S
Molecular Weight304.34 g/mol
Exact Mass304.07
IUPAC NameN-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(NC(=O)c2csc(-c3cn[nH]c3)n2)c(CO)n1
InChIInChI=1S/C12H12N6O2S/c1-18-4-8(9(5-19)17-18)15-11(20)10-6-21-12(16-10)7-2-13-14-3-7/h2-4,6,19H,5H2,1H3,(H,13,14)(H,15,20)
InChIKeyVNOJBRNJLGCRFO-UHFFFAOYSA-N
XLogP1.01
TPSA108.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-(3-cyano-1-methylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638741
N-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165129914
N-[1-(2-ethoxyethyl)-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638562
N-[1-[2-(diethylamino)ethyl]-3-pyridin-2-ylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638677
N-[1-[3-(dimethylamino)propyl]pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165130069
N-(1,3-dicyclopropylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165129965
N-[1-(1-cyclopropylethyl)-3-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165130029
N-[1-(2-methylpropyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 165130014
N-(1-benzyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122638750
N-[1-cyclohexyl-3-(3,6-difluoro-2-pyridinyl)pyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide;ethane;ethanol
CID 156646173
N-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 78887275
2-(1-hydroxypyrazol-4-yl)-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 122641867

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 171600710) is N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is Cn1cc(NC(=O)c2csc(-c3cn[nH]c3)n2)c(CO)n1.
What is the InChIKey of N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is VNOJBRNJLGCRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O2S/c1-18-4-8(9(5-19)17-18)15-11(20)10-6-21-12(16-10)7-2-13-14-3-7/h2-4,6,19H,5H2,1H3,(H,13,14)(H,15,20).
What are the key properties of N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 304.34 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)-1-methylpyrazol-4-yl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 171600710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).