2-(7-chloro-1,3-benzothiazol-2-yl)pentan-1-amine

C12H15ClN2S — CID 65220936

IUPAC2-(7-chloro-1,3-benzothiazol-2-yl)pentan-1-amine
SMILESCCCC(CN)c1nc2cccc(Cl)c2s1
InChIInChI=1S/C12H15ClN2S/c1-2-4-8(7-14)12-15-10-6-3-5-9(13)11(10)16-12/h3,5-6,8H,2,4,7,14H2,1H3
InChIKeyOWVUIAOBFUUCEQ-UHFFFAOYSA-N
MW254.79 g/mol
LogP3.79
Rot. Bonds4

About 2-(7-chloro-1,3-benzothiazol-2-yl)pentan-1-amine

2-(7-chloro-1,3-benzothiazol-2-yl)pentan-1-amine (PubChem CID 65220936) has the molecular formula C12H15ClN2S and a molecular weight of 254.79 g/mol. Its IUPAC name is 2-(7-chloro-1,3-benzothiazol-2-yl)pentan-1-amine.

Molecular Properties

Compound Name2-(7-chloro-1,3-benzothiazol-2-yl)pentan-1-amine
PubChem CID65220936
Molecular FormulaC12H15ClN2S
Molecular Weight254.79 g/mol
Exact Mass254.06
IUPAC Name2-(7-chloro-1,3-benzothiazol-2-yl)pentan-1-amine
SMILESCCCC(CN)c1nc2cccc(Cl)c2s1
InChIInChI=1S/C12H15ClN2S/c1-2-4-8(7-14)12-15-10-6-3-5-9(13)11(10)16-12/h3,5-6,8H,2,4,7,14H2,1H3
InChIKeyOWVUIAOBFUUCEQ-UHFFFAOYSA-N
XLogP3.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.79
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1,3-benzothiazol-2-yl)pentan-1-amine?
The IUPAC name of 2-(7-chloro-1,3-benzothiazol-2-yl)pentan-1-amine (CID 65220936) is 2-(7-chloro-1,3-benzothiazol-2-yl)pentan-1-amine.
What is the SMILES notation for 2-(7-chloro-1,3-benzothiazol-2-yl)pentan-1-amine?
The canonical SMILES for 2-(7-chloro-1,3-benzothiazol-2-yl)pentan-1-amine is CCCC(CN)c1nc2cccc(Cl)c2s1.
What is the InChIKey of 2-(7-chloro-1,3-benzothiazol-2-yl)pentan-1-amine?
The InChIKey is OWVUIAOBFUUCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2S/c1-2-4-8(7-14)12-15-10-6-3-5-9(13)11(10)16-12/h3,5-6,8H,2,4,7,14H2,1H3.
What are the key properties of 2-(7-chloro-1,3-benzothiazol-2-yl)pentan-1-amine?
2-(7-chloro-1,3-benzothiazol-2-yl)pentan-1-amine has a molecular weight of 254.79 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1,3-benzothiazol-2-yl)pentan-1-amine is sourced from PubChem (CID 65220936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).