5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanamine

C14H13F3N2S — CID 61330100

IUPAC5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(C(F)(F)F)cc1)c1nc2c(s1)CCC2
InChIInChI=1S/C14H13F3N2S/c15-14(16,17)9-6-4-8(5-7-9)12(18)13-19-10-2-1-3-11(10)20-13/h4-7,12H,1-3,18H2
InChIKeyDKGWJOAHGLIGSG-UHFFFAOYSA-N
MW298.33 g/mol
LogP3.70
Rot. Bonds2

About 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanamine

5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 61330100) has the molecular formula C14H13F3N2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID61330100
Molecular FormulaC14H13F3N2S
Molecular Weight298.33 g/mol
Exact Mass298.08
IUPAC Name5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccc(C(F)(F)F)cc1)c1nc2c(s1)CCC2
InChIInChI=1S/C14H13F3N2S/c15-14(16,17)9-6-4-8(5-7-9)12(18)13-19-10-2-1-3-11(10)20-13/h4-7,12H,1-3,18H2
InChIKeyDKGWJOAHGLIGSG-UHFFFAOYSA-N
XLogP3.70
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-Methyl-4-phenyl-1,3-thiazol-2-yl)methanamine
CID 3506452
1-(Trifluoromethyl)-4-(2,4-dimethyl-5-thiazolyl)benzene
CID 58245749
1-{4-[4-Methyl-2-(propan-2-yl)-1,3-thiazol-5-yl]phenyl}methanamine dihydrochloride
CID 155943443
5-Aminomethyl-2-p-tolyl-4-trifluoromethylthiazole
CID 14667162
1-(2,4-difluorophenyl)-N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]ethanamine
CID 75395422
(1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-N,N-dimethylethanamine
CID 164633517
(4-Methyl-2-(4-(trifluoromethyl)phenyl)thiazol-5-yl)methanamine
CID 2783045
2-Thiazolemethanamine, 4-[4-(trifluoromethyl)phenyl]-
CID 28379701
[2,3-Difluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine
CID 58112143
2-[4-(Trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine
CID 58617570
1-[4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanamine
CID 61280520
1-[4-[4-(Trifluoromethyl)phenyl]-1,3-thiazol-2-yl]ethanamine
CID 61337609

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanamine (CID 61330100) is 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanamine is NC(c1ccc(C(F)(F)F)cc1)c1nc2c(s1)CCC2.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is DKGWJOAHGLIGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2S/c15-14(16,17)9-6-4-8(5-7-9)12(18)13-19-10-2-1-3-11(10)20-13/h4-7,12H,1-3,18H2.
What are the key properties of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanamine?
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 298.33 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 61330100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).