2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

C12H14F2N4OS — CID 5143326

IUPAC2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)Cn2nc(C(F)F)cc2C)sc1C
InChIInChI=1S/C12H14F2N4OS/c1-6-4-9(11(13)14)17-18(6)5-10(19)16-12-15-7(2)8(3)20-12/h4,11H,5H2,1-3H3,(H,15,16,19)
InChIKeyAWHUCMVXELTIBF-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.84
Rot. Bonds4

About 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide

2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (PubChem CID 5143326) has the molecular formula C12H14F2N4OS and a molecular weight of 300.33 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
PubChem CID5143326
Molecular FormulaC12H14F2N4OS
Molecular Weight300.33 g/mol
Exact Mass300.09
IUPAC Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
SMILESCc1nc(NC(=O)Cn2nc(C(F)F)cc2C)sc1C
InChIInChI=1S/C12H14F2N4OS/c1-6-4-9(11(13)14)17-18(6)5-10(19)16-12-15-7(2)8(3)20-12/h4,11H,5H2,1-3H3,(H,15,16,19)
InChIKeyAWHUCMVXELTIBF-UHFFFAOYSA-N
XLogP2.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
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
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 2528589
N-[(3,5-dimethylpyrazol-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 3244409
N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 45147779
N-[4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53555391
N-[4-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-methylacetamide
CID 56780570
N-[4-[3-(3,5-dimethylpyrazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 72142629
N-(4-(2-amino-2-oxoethyl)thiazol-2-yl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide
CID 49720286
N-(2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)thiazol-4-yl)ethyl)-2-(N-methylmethylsulfonamido)acetamide
CID 71802113
N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 8762702
2-(3,5-dimethylpyrazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 17415179
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide (CID 5143326) is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is Cc1nc(NC(=O)Cn2nc(C(F)F)cc2C)sc1C.
What is the InChIKey of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is AWHUCMVXELTIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4OS/c1-6-4-9(11(13)14)17-18(6)5-10(19)16-12-15-7(2)8(3)20-12/h4,11H,5H2,1-3H3,(H,15,16,19).
What are the key properties of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide?
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 300.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 5143326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).