N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethoxy)aniline

C12H11F3N2OS — CID 28781173

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethoxy)aniline
SMILESCc1nc(CNc2cccc(OC(F)(F)F)c2)cs1
InChIInChI=1S/C12H11F3N2OS/c1-8-17-10(7-19-8)6-16-9-3-2-4-11(5-9)18-12(13,14)15/h2-5,7,16H,6H2,1H3
InChIKeyVSNSTJBVTKGZLP-UHFFFAOYSA-N
MW288.29 g/mol
LogP3.96
Rot. Bonds4

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethoxy)aniline

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethoxy)aniline (PubChem CID 28781173) has the molecular formula C12H11F3N2OS and a molecular weight of 288.29 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethoxy)aniline
PubChem CID28781173
Molecular FormulaC12H11F3N2OS
Molecular Weight288.29 g/mol
Exact Mass288.05
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethoxy)aniline
SMILESCc1nc(CNc2cccc(OC(F)(F)F)c2)cs1
InChIInChI=1S/C12H11F3N2OS/c1-8-17-10(7-19-8)6-16-9-3-2-4-11(5-9)18-12(13,14)15/h2-5,7,16H,6H2,1H3
InChIKeyVSNSTJBVTKGZLP-UHFFFAOYSA-N
XLogP3.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2532845
1-(4-methoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 56800885
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(4-methoxyphenyl)piperidin-4-amine
CID 56800886
2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 56810315
1-(3-Methoxyphenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
CID 72113810
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-pyrrolidin-1-ylethoxy)aniline
CID 75385355
3-(2-piperidin-1-ylethoxy)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 75385378
(Z)-2-(4-(4-fluorophenyl)thiazol-2-yl)-3-((3-methoxyphenyl)amino)acrylonitrile
CID 7087855
N'-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide
CID 47044306
N'-[3-(2-methylprop-2-enoxy)phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxamide
CID 53551973
N'-[3-(2-methylprop-2-enoxy)phenyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxamide
CID 53552293
2-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline;hydrochloride
CID 56810314

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethoxy)aniline?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethoxy)aniline (CID 28781173) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethoxy)aniline.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethoxy)aniline?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethoxy)aniline is Cc1nc(CNc2cccc(OC(F)(F)F)c2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethoxy)aniline?
The InChIKey is VSNSTJBVTKGZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2OS/c1-8-17-10(7-19-8)6-16-9-3-2-4-11(5-9)18-12(13,14)15/h2-5,7,16H,6H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethoxy)aniline?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethoxy)aniline has a molecular weight of 288.29 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethoxy)aniline is sourced from PubChem (CID 28781173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).