4-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine;hydrochloride

C14H14ClF3N2S — CID 47003100

IUPAC4-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1nc(C2CC2)c(Cc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C14H13F3N2S.ClH/c15-14(16,17)10-3-1-2-8(6-10)7-11-12(9-4-5-9)19-13(18)20-11;/h1-3,6,9H,4-5,7H2,(H2,18,19);1H
InChIKeyJIYYSWQWVWLBNJ-UHFFFAOYSA-N
MW334.79 g/mol
LogP4.63
Rot. Bonds3

About 4-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine;hydrochloride

4-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 47003100) has the molecular formula C14H14ClF3N2S and a molecular weight of 334.79 g/mol. Its IUPAC name is 4-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID47003100
Molecular FormulaC14H14ClF3N2S
Molecular Weight334.79 g/mol
Exact Mass334.05
IUPAC Name4-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCl.Nc1nc(C2CC2)c(Cc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C14H13F3N2S.ClH/c15-14(16,17)10-3-1-2-8(6-10)7-11-12(9-4-5-9)19-13(18)20-11;/h1-3,6,9H,4-5,7H2,(H2,18,19);1H
InChIKeyJIYYSWQWVWLBNJ-UHFFFAOYSA-N
XLogP4.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
CID 66477956
4-cyclopropyl-5-[(2,4,5-trichlorophenyl)methyl]-1,3-thiazol-2-amine
CID 63399669
5-[(2-chloro-5-fluorophenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine
CID 107530836
4-cyclopropyl-5-[(5-fluoro-2-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 62066656
4-cyclopropyl-5-[(2,4,6-trichlorophenyl)methyl]-1,3-thiazol-2-amine
CID 63399667
4-cyclopropyl-5-[(2,5-dichloro-4-methylphenyl)methyl]-1,3-thiazol-2-amine
CID 104727925
5-[[3-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine
CID 115094254
5-iodo-3-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole
CID 102618418
2-amino-6-(4-phenylcyclohexyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-pyrimidin-4-one
CID 164816523
4-[3-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-1-yl]-1-methylpiperidine
CID 72940712
4-(4-phenylcyclohexyl)-2-pyridin-1-ium-1-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-6-one
CID 172620796
2-[[3-(trifluoromethyl)phenyl]methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-ol
CID 115066894

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 4-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 47003100) is 4-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 4-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 4-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine;hydrochloride is Cl.Nc1nc(C2CC2)c(Cc2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of 4-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is JIYYSWQWVWLBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2S.ClH/c15-14(16,17)10-3-1-2-8(6-10)7-11-12(9-4-5-9)19-13(18)20-11;/h1-3,6,9H,4-5,7H2,(H2,18,19);1H.
What are the key properties of 4-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine;hydrochloride?
4-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 334.79 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 47003100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).