5-chloro-N-ethyl-6-methyl-1,3-benzothiazol-2-amine

C10H11ClN2S — CID 82549231

IUPAC5-chloro-N-ethyl-6-methyl-1,3-benzothiazol-2-amine
SMILESCCNc1nc2cc(Cl)c(C)cc2s1
InChIInChI=1S/C10H11ClN2S/c1-3-12-10-13-8-5-7(11)6(2)4-9(8)14-10/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyWZIMJDIQDMJJQL-UHFFFAOYSA-N
MW226.73 g/mol
LogP3.69
Rot. Bonds2

About 5-chloro-N-ethyl-6-methyl-1,3-benzothiazol-2-amine

5-chloro-N-ethyl-6-methyl-1,3-benzothiazol-2-amine (PubChem CID 82549231) has the molecular formula C10H11ClN2S and a molecular weight of 226.73 g/mol. Its IUPAC name is 5-chloro-N-ethyl-6-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-chloro-N-ethyl-6-methyl-1,3-benzothiazol-2-amine
PubChem CID82549231
Molecular FormulaC10H11ClN2S
Molecular Weight226.73 g/mol
Exact Mass226.03
IUPAC Name5-chloro-N-ethyl-6-methyl-1,3-benzothiazol-2-amine
SMILESCCNc1nc2cc(Cl)c(C)cc2s1
InChIInChI=1S/C10H11ClN2S/c1-3-12-10-13-8-5-7(11)6(2)4-9(8)14-10/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyWZIMJDIQDMJJQL-UHFFFAOYSA-N
XLogP3.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.73
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide
CID 17100920
4-[(2R)-butan-2-yl]oxy-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 40625136
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 4502392
2,4-dichloro-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 979290
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methyl-2-phenoxypropanamide
CID 30307866
5-tert-butyl-N-ethyl-6-methoxy-1,3-benzothiazol-2-amine
CID 82548876
N-(cyclopropylmethyl)-5,6-dimethyl-1,3-benzothiazol-2-amine
CID 12741815
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 45496447
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 960429
5,6-dichloro-N-trimethylsilyl-1,3-benzothiazol-2-amine
CID 91740451
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 4308951
6-chloro-N-(2,2-dimethylbutyl)-1,3-benzothiazol-2-amine
CID 103462911

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-6-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 5-chloro-N-ethyl-6-methyl-1,3-benzothiazol-2-amine (CID 82549231) is 5-chloro-N-ethyl-6-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-chloro-N-ethyl-6-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-chloro-N-ethyl-6-methyl-1,3-benzothiazol-2-amine is CCNc1nc2cc(Cl)c(C)cc2s1.
What is the InChIKey of 5-chloro-N-ethyl-6-methyl-1,3-benzothiazol-2-amine?
The InChIKey is WZIMJDIQDMJJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2S/c1-3-12-10-13-8-5-7(11)6(2)4-9(8)14-10/h4-5H,3H2,1-2H3,(H,12,13).
What are the key properties of 5-chloro-N-ethyl-6-methyl-1,3-benzothiazol-2-amine?
5-chloro-N-ethyl-6-methyl-1,3-benzothiazol-2-amine has a molecular weight of 226.73 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-6-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82549231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).