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

C10H9F3N4OS — CID 31287307

IUPACN-(3-methyl-1,3-thiazol-2-ylidene)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCn1ccs/c1=N/C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H9F3N4OS/c1-16-4-5-19-9(16)14-8(18)6-17-3-2-7(15-17)10(11,12)13/h2-5H,6H2,1H3/b14-9+
InChIKeyPYKDGFUWPBOKCZ-NTEUORMPSA-N
MW290.27 g/mol
LogP1.43
Rot. Bonds2

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

N-(3-methyl-1,3-thiazol-2-ylidene)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 31287307) has the molecular formula C10H9F3N4OS and a molecular weight of 290.27 g/mol. Its IUPAC name is N-(3-methyl-1,3-thiazol-2-ylidene)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-thiazol-2-ylidene)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID31287307
Molecular FormulaC10H9F3N4OS
Molecular Weight290.27 g/mol
Exact Mass290.04
IUPAC NameN-(3-methyl-1,3-thiazol-2-ylidene)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCn1ccs/c1=N/C(=O)Cn1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H9F3N4OS/c1-16-4-5-19-9(16)14-8(18)6-17-3-2-7(15-17)10(11,12)13/h2-5H,6H2,1H3/b14-9+
InChIKeyPYKDGFUWPBOKCZ-NTEUORMPSA-N
XLogP1.43
TPSA52.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 31287307) is N-(3-methyl-1,3-thiazol-2-ylidene)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-methyl-1,3-thiazol-2-ylidene)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-methyl-1,3-thiazol-2-ylidene)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cn1ccs/c1=N/C(=O)Cn1ccc(C(F)(F)F)n1.
What is the InChIKey of N-(3-methyl-1,3-thiazol-2-ylidene)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is PYKDGFUWPBOKCZ-NTEUORMPSA-N. The full InChI is InChI=1S/C10H9F3N4OS/c1-16-4-5-19-9(16)14-8(18)6-17-3-2-7(15-17)10(11,12)13/h2-5H,6H2,1H3/b14-9+.
What are the key properties of N-(3-methyl-1,3-thiazol-2-ylidene)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(3-methyl-1,3-thiazol-2-ylidene)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 290.27 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-thiazol-2-ylidene)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 31287307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).