2,4-dimethyl-N-(2-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-carboxamide

C12H16N4OS — CID 78772783

IUPAC2,4-dimethyl-N-(2-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccnn2C(C)C)s1
InChIInChI=1S/C12H16N4OS/c1-7(2)16-10(5-6-13-16)15-12(17)11-8(3)14-9(4)18-11/h5-7H,1-4H3,(H,15,17)
InChIKeyJCGKDKAKGKVJET-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.79
Rot. Bonds3

About 2,4-dimethyl-N-(2-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-(2-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 78772783) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 2,4-dimethyl-N-(2-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(2-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID78772783
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name2,4-dimethyl-N-(2-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccnn2C(C)C)s1
InChIInChI=1S/C12H16N4OS/c1-7(2)16-10(5-6-13-16)15-12(17)11-8(3)14-9(4)18-11/h5-7H,1-4H3,(H,15,17)
InChIKeyJCGKDKAKGKVJET-UHFFFAOYSA-N
XLogP2.79
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-methyl-N-(2-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 62794761
[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 31402919
4-methyl-N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 30183975
4-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiadiazole-5-carboxamide
CID 146075706
6-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-2-carboxamide
CID 47151732
3-chloro-N-(2-propan-2-ylpyrazol-3-yl)-1-benzothiophene-2-carboxamide
CID 30183448
5-(cyclopropanecarbonylamino)-3-methyl-N-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxamide
CID 78835001
N-(2-butan-2-ylpyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 134052582
2-(4-chlorophenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 112797447
4-tert-butyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 30182601
methyl N-(2-propan-2-ylpyrazol-3-yl)carbamate
CID 115619372
N-(2-propan-2-ylpyrazol-3-yl)naphthalene-2-carboxamide
CID 30183164

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(2-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(2-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-carboxamide (CID 78772783) is 2,4-dimethyl-N-(2-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(2-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(2-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccnn2C(C)C)s1.
What is the InChIKey of 2,4-dimethyl-N-(2-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is JCGKDKAKGKVJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-7(2)16-10(5-6-13-16)15-12(17)11-8(3)14-9(4)18-11/h5-7H,1-4H3,(H,15,17).
What are the key properties of 2,4-dimethyl-N-(2-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-(2-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(2-propan-2-ylpyrazol-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 78772783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).