N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-4-amine

C11H9F3N2OS — CID 91213014

IUPACN-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-4-amine
SMILESFC(F)(F)Oc1ccc(CNc2cscn2)cc1
InChIInChI=1S/C11H9F3N2OS/c12-11(13,14)17-9-3-1-8(2-4-9)5-15-10-6-18-7-16-10/h1-4,6-7,15H,5H2
InChIKeyNDIFPQAZBOYEMD-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.65
Rot. Bonds4

About N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-4-amine

N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-4-amine (PubChem CID 91213014) has the molecular formula C11H9F3N2OS and a molecular weight of 274.27 g/mol. Its IUPAC name is N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-4-amine.

Molecular Properties

Compound NameN-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-4-amine
PubChem CID91213014
Molecular FormulaC11H9F3N2OS
Molecular Weight274.27 g/mol
Exact Mass274.04
IUPAC NameN-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-4-amine
SMILESFC(F)(F)Oc1ccc(CNc2cscn2)cc1
InChIInChI=1S/C11H9F3N2OS/c12-11(13,14)17-9-3-1-8(2-4-9)5-15-10-6-18-7-16-10/h1-4,6-7,15H,5H2
InChIKeyNDIFPQAZBOYEMD-UHFFFAOYSA-N
XLogP3.65
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-thiazol-4-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 60721281
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-4-(trifluoromethoxy)aniline
CID 4663581
2-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridin-4-amine
CID 80523929
8-chloro-N-[[4-(trifluoromethoxy)phenyl]methyl]quinolin-2-amine
CID 177312689
2,6-dibromo-N-[[4-(trifluoromethoxy)phenyl]methyl]aniline
CID 107596990
N-(1,3-thiazol-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 60960358
6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-amine
CID 122282584
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 103701913
1,3-thiazol-4-yl-[4-(trifluoromethoxy)phenyl]methanamine
CID 91470452
3-[2-amino-6-[[4-(trifluoromethoxy)phenyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91779527
N-[[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 28586305
N-ethoxy-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 60727411

Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-4-amine?
The IUPAC name of N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-4-amine (CID 91213014) is N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-4-amine.
What is the SMILES notation for N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-4-amine?
The canonical SMILES for N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-4-amine is FC(F)(F)Oc1ccc(CNc2cscn2)cc1.
What is the InChIKey of N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-4-amine?
The InChIKey is NDIFPQAZBOYEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2OS/c12-11(13,14)17-9-3-1-8(2-4-9)5-15-10-6-18-7-16-10/h1-4,6-7,15H,5H2.
What are the key properties of N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-4-amine?
N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-4-amine has a molecular weight of 274.27 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-4-amine is sourced from PubChem (CID 91213014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).