N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C13H18N4O2S — CID 111543015

IUPACN-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1csc(-c2cnn(C)c2)n1
InChIInChI=1S/C13H18N4O2S/c1-13(2,19)8-16(3)12(18)10-7-20-11(15-10)9-5-14-17(4)6-9/h5-7,19H,8H2,1-4H3
InChIKeyYSULDIIUMMDJCL-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.39
Rot. Bonds4

About N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 111543015) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID111543015
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCN(CC(C)(C)O)C(=O)c1csc(-c2cnn(C)c2)n1
InChIInChI=1S/C13H18N4O2S/c1-13(2,19)8-16(3)12(18)10-7-20-11(15-10)9-5-14-17(4)6-9/h5-7,19H,8H2,1-4H3
InChIKeyYSULDIIUMMDJCL-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(furan-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 111543370
N-(2-hydroxy-2,3-dimethylbutyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 111484287
2-methyl-2-[[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 119187518
N-(2-hydroxyethyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 78887275
2-(3-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 111543202
2,2-dimethyl-1-[4-[2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]propan-1-one
CID 55792143
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55786527
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 87002068
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 111441960
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 36821843
N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 86866208
N-(2-hydroxy-2-methylpropyl)-N,1-dimethylpyrazole-3-carboxamide
CID 103726489

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 111543015) is N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is CN(CC(C)(C)O)C(=O)c1csc(-c2cnn(C)c2)n1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is YSULDIIUMMDJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-13(2,19)8-16(3)12(18)10-7-20-11(15-10)9-5-14-17(4)6-9/h5-7,19H,8H2,1-4H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 111543015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).