N-(3-methylsulfanylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine

C14H15F3N2S2 — CID 103704136

IUPACN-(3-methylsulfanylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
SMILESCSC1CCC(Nc2nc3cc(C(F)(F)F)ccc3s2)C1
InChIInChI=1S/C14H15F3N2S2/c1-20-10-4-3-9(7-10)18-13-19-11-6-8(14(15,16)17)2-5-12(11)21-13/h2,5-6,9-10H,3-4,7H2,1H3,(H,18,19)
InChIKeyXNKDLGBDAZWTMV-UHFFFAOYSA-N
MW332.42 g/mol
LogP5.01
Rot. Bonds3

About N-(3-methylsulfanylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine

N-(3-methylsulfanylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine (PubChem CID 103704136) has the molecular formula C14H15F3N2S2 and a molecular weight of 332.42 g/mol. Its IUPAC name is N-(3-methylsulfanylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(3-methylsulfanylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
PubChem CID103704136
Molecular FormulaC14H15F3N2S2
Molecular Weight332.42 g/mol
Exact Mass332.06
IUPAC NameN-(3-methylsulfanylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
SMILESCSC1CCC(Nc2nc3cc(C(F)(F)F)ccc3s2)C1
InChIInChI=1S/C14H15F3N2S2/c1-20-10-4-3-9(7-10)18-13-19-11-6-8(14(15,16)17)2-5-12(11)21-13/h2,5-6,9-10H,3-4,7H2,1H3,(H,18,19)
InChIKeyXNKDLGBDAZWTMV-UHFFFAOYSA-N
XLogP5.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.42
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine
CID 114124199
5-bromo-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine
CID 114124197
N-(1-oxothian-4-yl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 104576581
N-(1-chloroazetidin-3-yl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 140893601
N-(2,3-dimethylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 64922635
N-[(3-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 107414302
N-piperidin-4-yl-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 164533286
2-cyclopropyl-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]propan-1-ol
CID 133367327
(2-fluorophenyl)-[4-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]piperidin-1-yl]methanone
CID 133316892
5-chloro-N-(3-methylcyclopentyl)-1,3-benzothiazol-2-amine
CID 114548418
N-(2-methyl-3-methylsulfanylpropyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 63958665
N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 43247444

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(3-methylsulfanylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine (CID 103704136) is N-(3-methylsulfanylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(3-methylsulfanylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(3-methylsulfanylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine is CSC1CCC(Nc2nc3cc(C(F)(F)F)ccc3s2)C1.
What is the InChIKey of N-(3-methylsulfanylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine?
The InChIKey is XNKDLGBDAZWTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2S2/c1-20-10-4-3-9(7-10)18-13-19-11-6-8(14(15,16)17)2-5-12(11)21-13/h2,5-6,9-10H,3-4,7H2,1H3,(H,18,19).
What are the key properties of N-(3-methylsulfanylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine?
N-(3-methylsulfanylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine has a molecular weight of 332.42 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 103704136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).