N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine

C13H13F3N2S — CID 134578277

IUPACN-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine
SMILESCC(C)Nc1scnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H13F3N2S/c1-8(2)18-12-11(17-7-19-12)9-3-5-10(6-4-9)13(14,15)16/h3-8,18H,1-2H3
InChIKeyKRGLWMRUCLSILY-UHFFFAOYSA-N
MW286.32 g/mol
LogP4.65
Rot. Bonds3

About N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine

N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine (PubChem CID 134578277) has the molecular formula C13H13F3N2S and a molecular weight of 286.32 g/mol. Its IUPAC name is N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine.

Molecular Properties

Compound NameN-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine
PubChem CID134578277
Molecular FormulaC13H13F3N2S
Molecular Weight286.32 g/mol
Exact Mass286.08
IUPAC NameN-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine
SMILESCC(C)Nc1scnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H13F3N2S/c1-8(2)18-12-11(17-7-19-12)9-3-5-10(6-4-9)13(14,15)16/h3-8,18H,1-2H3
InChIKeyKRGLWMRUCLSILY-UHFFFAOYSA-N
XLogP4.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)aniline
CID 43760127
4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-[1,3]thiazolo[4,5-c]pyridine
CID 57326106
tri(propan-2-yloxy)-[4-[4-(trifluoromethyl)phenyl]phenyl]silane
CID 90171331
5-bromo-4-(4-tert-butylphenyl)-1,3-thiazole
CID 82135048
4-N-propan-2-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112854627
2-methyl-4,5-bis[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 57159559
1-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanol
CID 55183999
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 86567415
N-propan-2-yl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152022
5-methyl-1-propan-2-yl-2-[4-(trifluoromethyl)phenyl]imidazole
CID 19430211
2-chloro-5-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 71060395

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine?
The IUPAC name of N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine (CID 134578277) is N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine.
What is the SMILES notation for N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine?
The canonical SMILES for N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine is CC(C)Nc1scnc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine?
The InChIKey is KRGLWMRUCLSILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2S/c1-8(2)18-12-11(17-7-19-12)9-3-5-10(6-4-9)13(14,15)16/h3-8,18H,1-2H3.
What are the key properties of N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine?
N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine has a molecular weight of 286.32 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-amine is sourced from PubChem (CID 134578277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).