5-chloro-N-(3-methylcyclopentyl)-1,3-benzothiazol-2-amine

C13H15ClN2S — CID 114548418

IUPAC5-chloro-N-(3-methylcyclopentyl)-1,3-benzothiazol-2-amine
SMILESCC1CCC(Nc2nc3cc(Cl)ccc3s2)C1
InChIInChI=1S/C13H15ClN2S/c1-8-2-4-10(6-8)15-13-16-11-7-9(14)3-5-12(11)17-13/h3,5,7-8,10H,2,4,6H2,1H3,(H,15,16)
InChIKeyFBWBDGOMZWCDGO-UHFFFAOYSA-N
MW266.80 g/mol
LogP4.55
Rot. Bonds2

About 5-chloro-N-(3-methylcyclopentyl)-1,3-benzothiazol-2-amine

5-chloro-N-(3-methylcyclopentyl)-1,3-benzothiazol-2-amine (PubChem CID 114548418) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 5-chloro-N-(3-methylcyclopentyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3-methylcyclopentyl)-1,3-benzothiazol-2-amine
PubChem CID114548418
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name5-chloro-N-(3-methylcyclopentyl)-1,3-benzothiazol-2-amine
SMILESCC1CCC(Nc2nc3cc(Cl)ccc3s2)C1
InChIInChI=1S/C13H15ClN2S/c1-8-2-4-10(6-8)15-13-16-11-7-9(14)3-5-12(11)17-13/h3,5,7-8,10H,2,4,6H2,1H3,(H,15,16)
InChIKeyFBWBDGOMZWCDGO-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 79528935
5-chloro-N-(3-ethylcyclohexyl)-1,3-benzothiazol-2-amine
CID 64742832
5-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-benzothiazol-2-amine
CID 65470712
N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 43317154
6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447
5-bromo-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine
CID 114124197
5-fluoro-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine
CID 114124199
2,4-dichloro-N-(3-methylcyclopentyl)aniline
CID 64502454
5-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 43371237
2-N-(4-methylcyclohexyl)-1,3-benzothiazole-2,6-diamine
CID 63231366
N-(3-methylsulfanylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 103704136
N-(3,4-dimethylcyclohexyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79142849

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methylcyclopentyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-chloro-N-(3-methylcyclopentyl)-1,3-benzothiazol-2-amine (CID 114548418) is 5-chloro-N-(3-methylcyclopentyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-chloro-N-(3-methylcyclopentyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-chloro-N-(3-methylcyclopentyl)-1,3-benzothiazol-2-amine is CC1CCC(Nc2nc3cc(Cl)ccc3s2)C1.
What is the InChIKey of 5-chloro-N-(3-methylcyclopentyl)-1,3-benzothiazol-2-amine?
The InChIKey is FBWBDGOMZWCDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-8-2-4-10(6-8)15-13-16-11-7-9(14)3-5-12(11)17-13/h3,5,7-8,10H,2,4,6H2,1H3,(H,15,16).
What are the key properties of 5-chloro-N-(3-methylcyclopentyl)-1,3-benzothiazol-2-amine?
5-chloro-N-(3-methylcyclopentyl)-1,3-benzothiazol-2-amine has a molecular weight of 266.80 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methylcyclopentyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 114548418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).