7-chloro-N-(2,3-dimethylcyclopentyl)-1,3-benzothiazol-2-amine

C14H17ClN2S — CID 64922438

IUPAC7-chloro-N-(2,3-dimethylcyclopentyl)-1,3-benzothiazol-2-amine
SMILESCC1CCC(Nc2nc3cccc(Cl)c3s2)C1C
InChIInChI=1S/C14H17ClN2S/c1-8-6-7-11(9(8)2)16-14-17-12-5-3-4-10(15)13(12)18-14/h3-5,8-9,11H,6-7H2,1-2H3,(H,16,17)
InChIKeyQJKLNKQUXQUMRO-UHFFFAOYSA-N
MW280.82 g/mol
LogP4.80
Rot. Bonds2

About 7-chloro-N-(2,3-dimethylcyclopentyl)-1,3-benzothiazol-2-amine

7-chloro-N-(2,3-dimethylcyclopentyl)-1,3-benzothiazol-2-amine (PubChem CID 64922438) has the molecular formula C14H17ClN2S and a molecular weight of 280.82 g/mol. Its IUPAC name is 7-chloro-N-(2,3-dimethylcyclopentyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-chloro-N-(2,3-dimethylcyclopentyl)-1,3-benzothiazol-2-amine
PubChem CID64922438
Molecular FormulaC14H17ClN2S
Molecular Weight280.82 g/mol
Exact Mass280.08
IUPAC Name7-chloro-N-(2,3-dimethylcyclopentyl)-1,3-benzothiazol-2-amine
SMILESCC1CCC(Nc2nc3cccc(Cl)c3s2)C1C
InChIInChI=1S/C14H17ClN2S/c1-8-6-7-11(9(8)2)16-14-17-12-5-3-4-10(15)13(12)18-14/h3-5,8-9,11H,6-7H2,1-2H3,(H,16,17)
InChIKeyQJKLNKQUXQUMRO-UHFFFAOYSA-N
XLogP4.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.82
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(2,3-dimethylcyclopentyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 7-chloro-N-(2,3-dimethylcyclopentyl)-1,3-benzothiazol-2-amine (CID 64922438) is 7-chloro-N-(2,3-dimethylcyclopentyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-chloro-N-(2,3-dimethylcyclopentyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-chloro-N-(2,3-dimethylcyclopentyl)-1,3-benzothiazol-2-amine is CC1CCC(Nc2nc3cccc(Cl)c3s2)C1C.
What is the InChIKey of 7-chloro-N-(2,3-dimethylcyclopentyl)-1,3-benzothiazol-2-amine?
The InChIKey is QJKLNKQUXQUMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2S/c1-8-6-7-11(9(8)2)16-14-17-12-5-3-4-10(15)13(12)18-14/h3-5,8-9,11H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 7-chloro-N-(2,3-dimethylcyclopentyl)-1,3-benzothiazol-2-amine?
7-chloro-N-(2,3-dimethylcyclopentyl)-1,3-benzothiazol-2-amine has a molecular weight of 280.82 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(2,3-dimethylcyclopentyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 64922438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).