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

C13H11F3N2S — CID 63078223

IUPAC5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine
SMILESNC(c1cc(F)c(F)c(F)c1)c1nc2c(s1)CCC2
InChIInChI=1S/C13H11F3N2S/c14-7-4-6(5-8(15)11(7)16)12(17)13-18-9-2-1-3-10(9)19-13/h4-5,12H,1-3,17H2
InChIKeyCFSBGMQJWKFBDO-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.10
Rot. Bonds2

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

5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine (PubChem CID 63078223) has the molecular formula C13H11F3N2S and a molecular weight of 284.31 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine
PubChem CID63078223
Molecular FormulaC13H11F3N2S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC Name5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine
SMILESNC(c1cc(F)c(F)c(F)c1)c1nc2c(s1)CCC2
InChIInChI=1S/C13H11F3N2S/c14-7-4-6(5-8(15)11(7)16)12(17)13-18-9-2-1-3-10(9)19-13/h4-5,12H,1-3,17H2
InChIKeyCFSBGMQJWKFBDO-UHFFFAOYSA-N
XLogP3.10
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4,5-trifluorophenyl)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

(3-chloro-4-fluorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine
CID 81154464
(3,5-dichlorophenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 61331896
(3,4-dichlorophenyl)-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine
CID 61333069
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methanamine
CID 61330899
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-[4-(trifluoromethoxy)phenyl]methanamine
CID 61332667
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(6-methyl-3-pyridinyl)methanamine
CID 104822866
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-methoxyphenyl)methanamine
CID 61331092
(4-methoxyphenyl)-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 61330111
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(2,5-dimethylthiophen-3-yl)methanamine
CID 54977036
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3-propan-2-yloxyphenyl)methanamine
CID 61331493
1-(2,3-difluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methylmethanamine
CID 63667588
4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl-(2,4,6-trimethylphenyl)methanamine
CID 61330106

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine (CID 63078223) is 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine is NC(c1cc(F)c(F)c(F)c1)c1nc2c(s1)CCC2.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine?
The InChIKey is CFSBGMQJWKFBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2S/c14-7-4-6(5-8(15)11(7)16)12(17)13-18-9-2-1-3-10(9)19-13/h4-5,12H,1-3,17H2.
What are the key properties of 5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine?
5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(3,4,5-trifluorophenyl)methanamine has a molecular weight of 284.31 g/mol, XLogP of 3.10, 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-(3,4,5-trifluorophenyl)methanamine is sourced from PubChem (CID 63078223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).