2-acetamido-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

C11H13N5O2S — CID 652326

IUPAC2-acetamido-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)Nc2c(C)n[nH]c2C)cs1
InChIInChI=1S/C11H13N5O2S/c1-5-9(6(2)16-15-5)14-10(18)8-4-19-11(13-8)12-7(3)17/h4H,1-3H3,(H,14,18)(H,15,16)(H,12,13,17)
InChIKeyKKBFIJQZAZPZSL-UHFFFAOYSA-N
MW279.33 g/mol
LogP1.69
Rot. Bonds3

About 2-acetamido-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

2-acetamido-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 652326) has the molecular formula C11H13N5O2S and a molecular weight of 279.33 g/mol. Its IUPAC name is 2-acetamido-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID652326
Molecular FormulaC11H13N5O2S
Molecular Weight279.33 g/mol
Exact Mass279.08
IUPAC Name2-acetamido-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)Nc2c(C)n[nH]c2C)cs1
InChIInChI=1S/C11H13N5O2S/c1-5-9(6(2)16-15-5)14-10(18)8-4-19-11(13-8)12-7(3)17/h4H,1-3H3,(H,14,18)(H,15,16)(H,12,13,17)
InChIKeyKKBFIJQZAZPZSL-UHFFFAOYSA-N
XLogP1.69
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-1,3-thiazole-4-carbohydrazide
CID 1497062
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[3-methyl-4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 56781018
N-[4-[3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 72142629
1-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(4-ethyl-1,3-thiazol-2-yl)urea
CID 75434350
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508339
1-Methyl-1-[[2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carbonyl]amino]thiourea
CID 20850853
2-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 137213940
2-tert-butyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 146131541
2-acetamido-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
CID 45827712
2-(3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-oxopyridazin-1(6H)-yl)-N-(4-methylthiazol-2-yl)acetamide
CID 49653407
2-(3,5-dimethylpyrazol-1-yl)-N-(4-ethyl-1,3-thiazol-2-yl)propanamide
CID 56826725
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1,3-thiazole-4-carbohydrazide
CID 1497048

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 652326) is 2-acetamido-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)Nc2c(C)n[nH]c2C)cs1.
What is the InChIKey of 2-acetamido-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is KKBFIJQZAZPZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c1-5-9(6(2)16-15-5)14-10(18)8-4-19-11(13-8)12-7(3)17/h4H,1-3H3,(H,14,18)(H,15,16)(H,12,13,17).
What are the key properties of 2-acetamido-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide?
2-acetamido-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 279.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 652326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).