methyl-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]azanide

C12H10F3N2S- — CID 59280479

IUPACmethyl-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]azanide
SMILESC[N-]Cc1cnc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C12H10F3N2S/c1-16-6-10-7-17-11(18-10)8-3-2-4-9(5-8)12(13,14)15/h2-5,7H,6H2,1H3/q-1
InChIKeyWVMVTHWXOOTRCP-UHFFFAOYSA-N
MW271.29 g/mol
LogP4.33
Rot. Bonds3

About methyl-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]azanide

methyl-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]azanide (PubChem CID 59280479) has the molecular formula C12H10F3N2S- and a molecular weight of 271.29 g/mol. Its IUPAC name is methyl-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]azanide.

Molecular Properties

Compound Namemethyl-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]azanide
PubChem CID59280479
Molecular FormulaC12H10F3N2S-
Molecular Weight271.29 g/mol
Exact Mass271.05
IUPAC Namemethyl-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]azanide
SMILESC[N-]Cc1cnc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C12H10F3N2S/c1-16-6-10-7-17-11(18-10)8-3-2-4-9(5-8)12(13,14)15/h2-5,7H,6H2,1H3/q-1
InChIKeyWVMVTHWXOOTRCP-UHFFFAOYSA-N
XLogP4.33
TPSA26.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole
CID 113415724
2-(3-tert-butylphenyl)-5-phenyl-1,3-thiazole
CID 122594500
2-[2-(3-methylphenyl)-1,3-thiazol-5-yl]acetaldehyde
CID 115091749
[5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol
CID 66939465
5-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 162568225
5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-amine
CID 105485175
[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 61280947
N-[[4-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62403385
5-[3-(trifluoromethyl)phenyl]pyridazin-4-amine
CID 117127400
[5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 14091198
2-propyl-5-[3-(trifluoromethyl)phenyl]thiophene
CID 164918327
CID 89139091
CID 89139091

Frequently Asked Questions

What is the IUPAC name of methyl-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]azanide?
The IUPAC name of methyl-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]azanide (CID 59280479) is methyl-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]azanide.
What is the SMILES notation for methyl-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]azanide?
The canonical SMILES for methyl-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]azanide is C[N-]Cc1cnc(-c2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of methyl-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]azanide?
The InChIKey is WVMVTHWXOOTRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N2S/c1-16-6-10-7-17-11(18-10)8-3-2-4-9(5-8)12(13,14)15/h2-5,7H,6H2,1H3/q-1.
What are the key properties of methyl-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]azanide?
methyl-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]azanide has a molecular weight of 271.29 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[[2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]azanide is sourced from PubChem (CID 59280479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).