N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C9H7F3N4OS — CID 8762702

IUPACN-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1nccs1
InChIInChI=1S/C9H7F3N4OS/c10-9(11,12)6-1-3-16(15-6)5-7(17)14-8-13-2-4-18-8/h1-4H,5H2,(H,13,14,17)
InChIKeyPVKZAFQRHCZJIP-UHFFFAOYSA-N
MW276.24 g/mol
LogP2.00
Rot. Bonds3

About N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 8762702) has the molecular formula C9H7F3N4OS and a molecular weight of 276.24 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID8762702
Molecular FormulaC9H7F3N4OS
Molecular Weight276.24 g/mol
Exact Mass276.03
IUPAC NameN-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)Nc1nccs1
InChIInChI=1S/C9H7F3N4OS/c10-9(11,12)6-1-3-16(15-6)5-7(17)14-8-13-2-4-18-8/h1-4H,5H2,(H,13,14,17)
InChIKeyPVKZAFQRHCZJIP-UHFFFAOYSA-N
XLogP2.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-(5-methylthiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 6464339
1-ethyl-N-(thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 649902
2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 1259355
2-methyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 903234
N-(5-methyl-1,3-thiazol-2-yl)-2-propylpyrazole-3-carboxamide
CID 35522280
N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 45147779
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 53624432
N-(2,5-dimethylpyrazol-3-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 75369831
3-Trifluoromethyl-1-(2-thiazolyl)pyrazole
CID 122641792
1-Ethyl-N-(thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 891818
2-[5-Cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-N~1~-(1,3-thiazol-2-YL)acetamide
CID 843409
3-(3-Methyl-1H-pyrazol-1-YL)-N-(1,3-thiazol-2-YL)propanamide
CID 45106807

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 8762702) is N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)Nc1nccs1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is PVKZAFQRHCZJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4OS/c10-9(11,12)6-1-3-16(15-6)5-7(17)14-8-13-2-4-18-8/h1-4H,5H2,(H,13,14,17).
What are the key properties of N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 276.24 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 8762702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).