2-cyano-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

C12H10F3N5OS — CID 167892842

IUPAC2-cyano-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1n[nH]c(C)c1NC(=O)C(C#N)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H10F3N5OS/c1-5-9(6(2)20-19-5)18-10(21)7(3-16)11-17-8(4-22-11)12(13,14)15/h4,7H,1-2H3,(H,18,21)(H,19,20)
InChIKeyBSVFOBDLQKHBBT-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.75
Rot. Bonds3

About 2-cyano-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide

2-cyano-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 167892842) has the molecular formula C12H10F3N5OS and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-cyano-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID167892842
Molecular FormulaC12H10F3N5OS
Molecular Weight329.31 g/mol
Exact Mass329.06
IUPAC Name2-cyano-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1n[nH]c(C)c1NC(=O)C(C#N)c1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H10F3N5OS/c1-5-9(6(2)20-19-5)18-10(21)7(3-16)11-17-8(4-22-11)12(13,14)15/h4,7H,1-2H3,(H,18,21)(H,19,20)
InChIKeyBSVFOBDLQKHBBT-UHFFFAOYSA-N
XLogP2.75
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 146131541
N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
CID 146131542
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 71861594
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 43546450
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 43546554
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 43546767
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 61851978
2-(aminomethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 66376841
2-(2-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 66388848
2-(1-aminoethyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 66388849
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2,4-dimethyl-1,3-thiazol-5-yl)methylsulfanyl]acetamide
CID 75399503
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methylsulfanyl]acetamide
CID 75399507

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-cyano-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide (CID 167892842) is 2-cyano-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-cyano-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-cyano-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is Cc1n[nH]c(C)c1NC(=O)C(C#N)c1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-cyano-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is BSVFOBDLQKHBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5OS/c1-5-9(6(2)20-19-5)18-10(21)7(3-16)11-17-8(4-22-11)12(13,14)15/h4,7H,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 2-cyano-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide?
2-cyano-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 329.31 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 167892842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).