N-(3-methyl-1,3-thiazol-2-ylidene)-4-(trifluoromethoxy)benzamide

C12H9F3N2O2S — CID 2552807

IUPACN-(3-methyl-1,3-thiazol-2-ylidene)-4-(trifluoromethoxy)benzamide
SMILESCn1ccs/c1=N/C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H9F3N2O2S/c1-17-6-7-20-11(17)16-10(18)8-2-4-9(5-3-8)19-12(13,14)15/h2-7H,1H3/b16-11+
InChIKeyWESIUTCJOGQJMV-LFIBNONCSA-N
MW302.28 g/mol
LogP2.73
Rot. Bonds2

About N-(3-methyl-1,3-thiazol-2-ylidene)-4-(trifluoromethoxy)benzamide

N-(3-methyl-1,3-thiazol-2-ylidene)-4-(trifluoromethoxy)benzamide (PubChem CID 2552807) has the molecular formula C12H9F3N2O2S and a molecular weight of 302.28 g/mol. Its IUPAC name is N-(3-methyl-1,3-thiazol-2-ylidene)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-thiazol-2-ylidene)-4-(trifluoromethoxy)benzamide
PubChem CID2552807
Molecular FormulaC12H9F3N2O2S
Molecular Weight302.28 g/mol
Exact Mass302.03
IUPAC NameN-(3-methyl-1,3-thiazol-2-ylidene)-4-(trifluoromethoxy)benzamide
SMILESCn1ccs/c1=N/C(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H9F3N2O2S/c1-17-6-7-20-11(17)16-10(18)8-2-4-9(5-3-8)19-12(13,14)15/h2-7H,1H3/b16-11+
InChIKeyWESIUTCJOGQJMV-LFIBNONCSA-N
XLogP2.73
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)-4-(trifluoromethoxy)benzamide (CID 2552807) is N-(3-methyl-1,3-thiazol-2-ylidene)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(3-methyl-1,3-thiazol-2-ylidene)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(3-methyl-1,3-thiazol-2-ylidene)-4-(trifluoromethoxy)benzamide is Cn1ccs/c1=N/C(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(3-methyl-1,3-thiazol-2-ylidene)-4-(trifluoromethoxy)benzamide?
The InChIKey is WESIUTCJOGQJMV-LFIBNONCSA-N. The full InChI is InChI=1S/C12H9F3N2O2S/c1-17-6-7-20-11(17)16-10(18)8-2-4-9(5-3-8)19-12(13,14)15/h2-7H,1H3/b16-11+.
What are the key properties of N-(3-methyl-1,3-thiazol-2-ylidene)-4-(trifluoromethoxy)benzamide?
N-(3-methyl-1,3-thiazol-2-ylidene)-4-(trifluoromethoxy)benzamide has a molecular weight of 302.28 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-thiazol-2-ylidene)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 2552807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).