4-(5-chloro-1,3-benzothiazol-2-yl)pentan-1-amine

C12H15ClN2S — CID 104685724

IUPAC4-(5-chloro-1,3-benzothiazol-2-yl)pentan-1-amine
SMILESCC(CCCN)c1nc2cc(Cl)ccc2s1
InChIInChI=1S/C12H15ClN2S/c1-8(3-2-6-14)12-15-10-7-9(13)4-5-11(10)16-12/h4-5,7-8H,2-3,6,14H2,1H3
InChIKeyMBIKOAMBUGVJIZ-UHFFFAOYSA-N
MW254.79 g/mol
LogP3.79
Rot. Bonds4

About 4-(5-chloro-1,3-benzothiazol-2-yl)pentan-1-amine

4-(5-chloro-1,3-benzothiazol-2-yl)pentan-1-amine (PubChem CID 104685724) has the molecular formula C12H15ClN2S and a molecular weight of 254.79 g/mol. Its IUPAC name is 4-(5-chloro-1,3-benzothiazol-2-yl)pentan-1-amine.

Molecular Properties

Compound Name4-(5-chloro-1,3-benzothiazol-2-yl)pentan-1-amine
PubChem CID104685724
Molecular FormulaC12H15ClN2S
Molecular Weight254.79 g/mol
Exact Mass254.06
IUPAC Name4-(5-chloro-1,3-benzothiazol-2-yl)pentan-1-amine
SMILESCC(CCCN)c1nc2cc(Cl)ccc2s1
InChIInChI=1S/C12H15ClN2S/c1-8(3-2-6-14)12-15-10-7-9(13)4-5-11(10)16-12/h4-5,7-8H,2-3,6,14H2,1H3
InChIKeyMBIKOAMBUGVJIZ-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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Related Compounds

5-chloro-2-pentan-2-yl-1,3-benzothiazole
CID 91375937
2-butan-2-yl-5-chloro-1,3-benzothiazole
CID 58291254
1-(5-chloro-1,3-benzothiazol-2-yl)-2-methylbutan-1-amine
CID 43185909
4-(6-ethoxy-1,3-benzothiazol-2-yl)pentan-1-amine
CID 113441133
3-amino-3-(5-chloro-1,3-benzothiazol-2-yl)propanoic acid
CID 18427339
[1-(5-chloro-1,3-benzothiazol-2-yl)-3-methylbutyl]carbamic acid
CID 118864089
6-chloro-2-propan-2-yl-1,3-benzothiazole
CID 18340659
3-(6-chloro-1,3-benzothiazol-2-yl)butanoic acid
CID 119086695
N-[(5-chloro-1,3-benzothiazol-2-yl)methyl]propan-2-amine
CID 60837389
4-(2,6-dichlorophenyl)pentan-1-amine
CID 83924946
5-chloro-2-methyl-1,3-benzothiazole;methane
CID 163804732
1-(5-chloro-1,3-benzothiazol-2-yl)-2-methylpropan-2-amine
CID 64671247

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1,3-benzothiazol-2-yl)pentan-1-amine?
The IUPAC name of 4-(5-chloro-1,3-benzothiazol-2-yl)pentan-1-amine (CID 104685724) is 4-(5-chloro-1,3-benzothiazol-2-yl)pentan-1-amine.
What is the SMILES notation for 4-(5-chloro-1,3-benzothiazol-2-yl)pentan-1-amine?
The canonical SMILES for 4-(5-chloro-1,3-benzothiazol-2-yl)pentan-1-amine is CC(CCCN)c1nc2cc(Cl)ccc2s1.
What is the InChIKey of 4-(5-chloro-1,3-benzothiazol-2-yl)pentan-1-amine?
The InChIKey is MBIKOAMBUGVJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2S/c1-8(3-2-6-14)12-15-10-7-9(13)4-5-11(10)16-12/h4-5,7-8H,2-3,6,14H2,1H3.
What are the key properties of 4-(5-chloro-1,3-benzothiazol-2-yl)pentan-1-amine?
4-(5-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 4-(5-chloro-1,3-benzothiazol-2-yl)pentan-1-amine is sourced from PubChem (CID 104685724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).