6-chloro-N-[(4-ethylphenyl)methyl]-1,3-benzothiazol-2-amine

C16H15ClN2S — CID 106900344

IUPAC6-chloro-N-[(4-ethylphenyl)methyl]-1,3-benzothiazol-2-amine
SMILESCCc1ccc(CNc2nc3ccc(Cl)cc3s2)cc1
InChIInChI=1S/C16H15ClN2S/c1-2-11-3-5-12(6-4-11)10-18-16-19-14-8-7-13(17)9-15(14)20-16/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyNHBMHTJJDGIXIQ-UHFFFAOYSA-N
MW302.83 g/mol
LogP5.12
Rot. Bonds4

About 6-chloro-N-[(4-ethylphenyl)methyl]-1,3-benzothiazol-2-amine

6-chloro-N-[(4-ethylphenyl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 106900344) has the molecular formula C16H15ClN2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 6-chloro-N-[(4-ethylphenyl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(4-ethylphenyl)methyl]-1,3-benzothiazol-2-amine
PubChem CID106900344
Molecular FormulaC16H15ClN2S
Molecular Weight302.83 g/mol
Exact Mass302.06
IUPAC Name6-chloro-N-[(4-ethylphenyl)methyl]-1,3-benzothiazol-2-amine
SMILESCCc1ccc(CNc2nc3ccc(Cl)cc3s2)cc1
InChIInChI=1S/C16H15ClN2S/c1-2-11-3-5-12(6-4-11)10-18-16-19-14-8-7-13(17)9-15(14)20-16/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyNHBMHTJJDGIXIQ-UHFFFAOYSA-N
XLogP5.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.83
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-amine
CID 935527
2-N-[(4-chlorophenyl)methyl]-1,3-benzothiazole-2,6-diamine
CID 63231401
6-chloro-N-(2,2-dimethylbutyl)-1,3-benzothiazol-2-amine
CID 103462911
N-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 43306392
N-[(4-bromophenyl)methyl]-5-chloro-1,3-benzothiazol-2-amine
CID 54937658
6-chloro-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-amine
CID 79525794
6-chloro-N-(2-ethoxyethyl)-1,3-benzothiazol-2-amine
CID 79529020
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
N-[(4-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 71628497
6-ethyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-1,3-benzothiazol-2-amine
CID 108775753
6-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 103934019
N,6-dibenzyl-1,3-benzothiazol-2-amine
CID 82548710

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-ethylphenyl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-[(4-ethylphenyl)methyl]-1,3-benzothiazol-2-amine (CID 106900344) is 6-chloro-N-[(4-ethylphenyl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-[(4-ethylphenyl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-[(4-ethylphenyl)methyl]-1,3-benzothiazol-2-amine is CCc1ccc(CNc2nc3ccc(Cl)cc3s2)cc1.
What is the InChIKey of 6-chloro-N-[(4-ethylphenyl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is NHBMHTJJDGIXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2S/c1-2-11-3-5-12(6-4-11)10-18-16-19-14-8-7-13(17)9-15(14)20-16/h3-9H,2,10H2,1H3,(H,18,19).
What are the key properties of 6-chloro-N-[(4-ethylphenyl)methyl]-1,3-benzothiazol-2-amine?
6-chloro-N-[(4-ethylphenyl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 302.83 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-ethylphenyl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 106900344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).