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

C14H13F3N2OS — CID 61332667

IUPAC5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-[4-(trifluoromethoxy)phenyl]methanamine
SMILESNC(c1ccc(OC(F)(F)F)cc1)c1nc2c(s1)CCC2
InChIInChI=1S/C14H13F3N2OS/c15-14(16,17)20-9-6-4-8(5-7-9)12(18)13-19-10-2-1-3-11(10)21-13/h4-7,12H,1-3,18H2
InChIKeyZCNOUPKGAYQUQM-UHFFFAOYSA-N
MW314.33 g/mol
LogP3.58
Rot. Bonds3

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

5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 61332667) has the molecular formula C14H13F3N2OS and a molecular weight of 314.33 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID61332667
Molecular FormulaC14H13F3N2OS
Molecular Weight314.33 g/mol
Exact Mass314.07
IUPAC Name5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-[4-(trifluoromethoxy)phenyl]methanamine
SMILESNC(c1ccc(OC(F)(F)F)cc1)c1nc2c(s1)CCC2
InChIInChI=1S/C14H13F3N2OS/c15-14(16,17)20-9-6-4-8(5-7-9)12(18)13-19-10-2-1-3-11(10)21-13/h4-7,12H,1-3,18H2
InChIKeyZCNOUPKGAYQUQM-UHFFFAOYSA-N
XLogP3.58
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methoxyphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 61330111
(3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine
CID 61333069
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine
CID 63078223
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine
CID 61331092
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propan-2-yloxyphenyl)methanamine
CID 61331493
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine
CID 61330899
(4-propan-2-yl-1,3-thiazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 61330086
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,4-dimethoxyphenyl)methanamine
CID 61330501
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propoxyphenyl)methanamine
CID 62499814
(3-chloro-4-methoxyphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 65026757
(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine
CID 171246372
(S)-(4-pyrrolidin-1-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171252024

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-[4-(trifluoromethoxy)phenyl]methanamine (CID 61332667) is 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-[4-(trifluoromethoxy)phenyl]methanamine is NC(c1ccc(OC(F)(F)F)cc1)c1nc2c(s1)CCC2.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is ZCNOUPKGAYQUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2OS/c15-14(16,17)20-9-6-4-8(5-7-9)12(18)13-19-10-2-1-3-11(10)21-13/h4-7,12H,1-3,18H2.
What are the key properties of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-[4-(trifluoromethoxy)phenyl]methanamine?
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 314.33 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 61332667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).