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

C13H15BrN2S2 — CID 114124197

IUPAC5-bromo-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine
SMILESCSC1CCC(Nc2nc3cc(Br)ccc3s2)C1
InChIInChI=1S/C13H15BrN2S2/c1-17-10-4-3-9(7-10)15-13-16-11-6-8(14)2-5-12(11)18-13/h2,5-6,9-10H,3-4,7H2,1H3,(H,15,16)
InChIKeyMGTAQKVIDDEDKG-UHFFFAOYSA-N
MW343.32 g/mol
LogP4.75
Rot. Bonds3

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

5-bromo-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine (PubChem CID 114124197) has the molecular formula C13H15BrN2S2 and a molecular weight of 343.32 g/mol. Its IUPAC name is 5-bromo-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine
PubChem CID114124197
Molecular FormulaC13H15BrN2S2
Molecular Weight343.32 g/mol
Exact Mass341.99
IUPAC Name5-bromo-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine
SMILESCSC1CCC(Nc2nc3cc(Br)ccc3s2)C1
InChIInChI=1S/C13H15BrN2S2/c1-17-10-4-3-9(7-10)15-13-16-11-6-8(14)2-5-12(11)18-13/h2,5-6,9-10H,3-4,7H2,1H3,(H,15,16)
InChIKeyMGTAQKVIDDEDKG-UHFFFAOYSA-N
XLogP4.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

5-fluoro-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine
CID 114124199
N-(3-methylsulfanylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 103704136
5-bromo-N-(oxan-4-yl)-1,3-benzothiazol-2-amine
CID 43610482
5-bromo-N-(1-methylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 43373632
6-bromo-N-cyclopropyl-1,3-benzothiazol-2-amine
CID 45496579
5-chloro-N-(3-methylcyclopentyl)-1,3-benzothiazol-2-amine
CID 114548418
6-bromo-N-(3,5-dimethylcyclohexyl)-1,3-benzothiazol-2-amine
CID 79528174
5-bromo-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 43306435
4-bromo-2-[(3-methylsulfanylcyclopentyl)amino]benzoic acid
CID 114124329
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-benzothiazol-2-amine
CID 63547158
N-[(4-bromo-2-chlorophenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 103701411
N-(5-bromo-1,3-benzothiazol-2-yl)-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62979402

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-bromo-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine (CID 114124197) is 5-bromo-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-bromo-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine is CSC1CCC(Nc2nc3cc(Br)ccc3s2)C1.
What is the InChIKey of 5-bromo-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine?
The InChIKey is MGTAQKVIDDEDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S2/c1-17-10-4-3-9(7-10)15-13-16-11-6-8(14)2-5-12(11)18-13/h2,5-6,9-10H,3-4,7H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine?
5-bromo-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine has a molecular weight of 343.32 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 114124197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).