2-(2-chloropentyl)-1,3-benzothiazole

C12H14ClNS — CID 63203228

IUPAC2-(2-chloropentyl)-1,3-benzothiazole
SMILESCCCC(Cl)Cc1nc2ccccc2s1
InChIInChI=1S/C12H14ClNS/c1-2-5-9(13)8-12-14-10-6-3-4-7-11(10)15-12/h3-4,6-7,9H,2,5,8H2,1H3
InChIKeyGRYLWDKYSUJPIE-UHFFFAOYSA-N
MW239.77 g/mol
LogP4.25
Rot. Bonds4

About 2-(2-chloropentyl)-1,3-benzothiazole

2-(2-chloropentyl)-1,3-benzothiazole (PubChem CID 63203228) has the molecular formula C12H14ClNS and a molecular weight of 239.77 g/mol. Its IUPAC name is 2-(2-chloropentyl)-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2-chloropentyl)-1,3-benzothiazole
PubChem CID63203228
Molecular FormulaC12H14ClNS
Molecular Weight239.77 g/mol
Exact Mass239.05
IUPAC Name2-(2-chloropentyl)-1,3-benzothiazole
SMILESCCCC(Cl)Cc1nc2ccccc2s1
InChIInChI=1S/C12H14ClNS/c1-2-5-9(13)8-12-14-10-6-3-4-7-11(10)15-12/h3-4,6-7,9H,2,5,8H2,1H3
InChIKeyGRYLWDKYSUJPIE-UHFFFAOYSA-N
XLogP4.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroheptyl)-1,3-benzothiazole
CID 66459330
2-(2-chlorobutyl)-1,3-benzothiazole
CID 63202547
2-(2-chloro-4-methylpentyl)-1,3-benzothiazole
CID 66461954
1-(1,3-benzothiazol-2-yl)pentan-2-amine
CID 43118668
2-(2-chloro-4-cyclopentylbutyl)-1,3-benzothiazole
CID 66460945
2-[2-chloro-4-(furan-2-yl)butyl]-1,3-benzothiazole
CID 66458933
N-(1,3-benzothiazol-2-ylmethyl)heptan-4-amine
CID 29275051
2-(2-phenylbutyl)-1,3-benzothiazole
CID 56999152
2-[2-chloro-2-(2-methylphenyl)ethyl]-1,3-benzothiazole
CID 66458930
1-(1,3-benzothiazol-2-yl)hexan-2-ylhydrazine
CID 105245702
1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine
CID 63201773
2-(2-chloro-2-cyclopropylethyl)-1,3-benzothiazole
CID 63352973

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropentyl)-1,3-benzothiazole?
The IUPAC name of 2-(2-chloropentyl)-1,3-benzothiazole (CID 63203228) is 2-(2-chloropentyl)-1,3-benzothiazole.
What is the SMILES notation for 2-(2-chloropentyl)-1,3-benzothiazole?
The canonical SMILES for 2-(2-chloropentyl)-1,3-benzothiazole is CCCC(Cl)Cc1nc2ccccc2s1.
What is the InChIKey of 2-(2-chloropentyl)-1,3-benzothiazole?
The InChIKey is GRYLWDKYSUJPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNS/c1-2-5-9(13)8-12-14-10-6-3-4-7-11(10)15-12/h3-4,6-7,9H,2,5,8H2,1H3.
What are the key properties of 2-(2-chloropentyl)-1,3-benzothiazole?
2-(2-chloropentyl)-1,3-benzothiazole has a molecular weight of 239.77 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloropentyl)-1,3-benzothiazole is sourced from PubChem (CID 63203228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).