6-chloro-N-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-amine

C16H15ClN2S — CID 79528250

IUPAC6-chloro-N-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-amine
SMILESCC(C)c1cccc(Nc2nc3ccc(Cl)cc3s2)c1
InChIInChI=1S/C16H15ClN2S/c1-10(2)11-4-3-5-13(8-11)18-16-19-14-7-6-12(17)9-15(14)20-16/h3-10H,1-2H3,(H,18,19)
InChIKeyWATICOCKYRVNQP-UHFFFAOYSA-N
MW302.83 g/mol
LogP5.82
Rot. Bonds3

About 6-chloro-N-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-amine

6-chloro-N-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-amine (PubChem CID 79528250) has the molecular formula C16H15ClN2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 6-chloro-N-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-amine
PubChem CID79528250
Molecular FormulaC16H15ClN2S
Molecular Weight302.83 g/mol
Exact Mass302.06
IUPAC Name6-chloro-N-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-amine
SMILESCC(C)c1cccc(Nc2nc3ccc(Cl)cc3s2)c1
InChIInChI=1S/C16H15ClN2S/c1-10(2)11-4-3-5-13(8-11)18-16-19-14-7-6-12(17)9-15(14)20-16/h3-10H,1-2H3,(H,18,19)
InChIKeyWATICOCKYRVNQP-UHFFFAOYSA-N
XLogP5.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.83
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(3-propan-2-ylphenyl)-1,3-benzothiazole-2,6-diamine
CID 63402912
6-chloro-N-(3,4-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79527734
6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
CID 5044430
5-bromo-N-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-amine
CID 43307054
6-chloro-N-(4-propan-2-yloxyphenyl)-1,3-benzothiazol-2-amine
CID 79525686
6-chloro-N-(2,6-diethylphenyl)-1,3-benzothiazol-2-amine
CID 79525572
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
N-(4-propan-2-ylphenyl)-1,3-benzothiazol-2-amine
CID 2360618
6-chloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 53414955
6-chloro-N-(3-fluoro-2-methylphenyl)-1,3-benzothiazol-2-amine
CID 79526478
6-chloro-N-(2,5-dichlorophenyl)-1,3-benzothiazol-2-amine
CID 79528843
6-chloro-N-(5-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 79527911

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-amine (CID 79528250) is 6-chloro-N-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-amine is CC(C)c1cccc(Nc2nc3ccc(Cl)cc3s2)c1.
What is the InChIKey of 6-chloro-N-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is WATICOCKYRVNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2S/c1-10(2)11-4-3-5-13(8-11)18-16-19-14-7-6-12(17)9-15(14)20-16/h3-10H,1-2H3,(H,18,19).
What are the key properties of 6-chloro-N-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-amine?
6-chloro-N-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 302.83 g/mol, XLogP of 5.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-propan-2-ylphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 79528250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).