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

C10H11ClN2S — CID 82549012

IUPAC4-chloro-6-ethyl-N-methyl-1,3-benzothiazol-2-amine
SMILESCCc1cc(Cl)c2nc(NC)sc2c1
InChIInChI=1S/C10H11ClN2S/c1-3-6-4-7(11)9-8(5-6)14-10(12-2)13-9/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyIVAWCWJAFLLSCQ-UHFFFAOYSA-N
MW226.73 g/mol
LogP3.55
Rot. Bonds2

About 4-chloro-6-ethyl-N-methyl-1,3-benzothiazol-2-amine

4-chloro-6-ethyl-N-methyl-1,3-benzothiazol-2-amine (PubChem CID 82549012) has the molecular formula C10H11ClN2S and a molecular weight of 226.73 g/mol. Its IUPAC name is 4-chloro-6-ethyl-N-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-chloro-6-ethyl-N-methyl-1,3-benzothiazol-2-amine
PubChem CID82549012
Molecular FormulaC10H11ClN2S
Molecular Weight226.73 g/mol
Exact Mass226.03
IUPAC Name4-chloro-6-ethyl-N-methyl-1,3-benzothiazol-2-amine
SMILESCCc1cc(Cl)c2nc(NC)sc2c1
InChIInChI=1S/C10H11ClN2S/c1-3-6-4-7(11)9-8(5-6)14-10(12-2)13-9/h4-5H,3H2,1-2H3,(H,12,13)
InChIKeyIVAWCWJAFLLSCQ-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-ethyl-1,3-benzothiazol-2-amine
CID 30029861
4-bromo-6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 82549373
5,7-dichloro-4-ethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82548636
4-chloro-6-ethyl-1,3-benzothiazole;ethane
CID 154657873
6-chloro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine
CID 140701361
4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82105804
6-methoxy-N,4,5-trimethyl-1,3-benzothiazol-2-amine
CID 82548705
4-bromo-6-methoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82549421
6-chloro-N-methyl-4,7-dipropoxy-1,3-benzothiazol-2-amine
CID 82548540
methyl 4-chloro-7-methoxy-2-(methylamino)-1,3-benzothiazole-6-carboxylate
CID 82549217
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
2-chloro-4,6-diethyl-N-methylaniline
CID 21161258

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-N-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 4-chloro-6-ethyl-N-methyl-1,3-benzothiazol-2-amine (CID 82549012) is 4-chloro-6-ethyl-N-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-chloro-6-ethyl-N-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-chloro-6-ethyl-N-methyl-1,3-benzothiazol-2-amine is CCc1cc(Cl)c2nc(NC)sc2c1.
What is the InChIKey of 4-chloro-6-ethyl-N-methyl-1,3-benzothiazol-2-amine?
The InChIKey is IVAWCWJAFLLSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2S/c1-3-6-4-7(11)9-8(5-6)14-10(12-2)13-9/h4-5H,3H2,1-2H3,(H,12,13).
What are the key properties of 4-chloro-6-ethyl-N-methyl-1,3-benzothiazol-2-amine?
4-chloro-6-ethyl-N-methyl-1,3-benzothiazol-2-amine has a molecular weight of 226.73 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-N-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82549012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).