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

C11H13ClN2S — CID 140701361

IUPAC6-chloro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine
SMILESCNc1nc2c(C(C)C)cc(Cl)cc2s1
InChIInChI=1S/C11H13ClN2S/c1-6(2)8-4-7(12)5-9-10(8)14-11(13-3)15-9/h4-6H,1-3H3,(H,13,14)
InChIKeyOVKRHKBBSOGWNU-UHFFFAOYSA-N
MW240.76 g/mol
LogP4.11
Rot. Bonds2

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

6-chloro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine (PubChem CID 140701361) has the molecular formula C11H13ClN2S and a molecular weight of 240.76 g/mol. Its IUPAC name is 6-chloro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine
PubChem CID140701361
Molecular FormulaC11H13ClN2S
Molecular Weight240.76 g/mol
Exact Mass240.05
IUPAC Name6-chloro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine
SMILESCNc1nc2c(C(C)C)cc(Cl)cc2s1
InChIInChI=1S/C11H13ClN2S/c1-6(2)8-4-7(12)5-9-10(8)14-11(13-3)15-9/h4-6H,1-3H3,(H,13,14)
InChIKeyOVKRHKBBSOGWNU-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 82549373
(2S)-2-bromo-N-(6-chloro-4-propan-2-yl-1,3-benzothiazol-2-yl)pentanamide
CID 28662530
6-chloro-N-methyl-1,3-benzothiazol-2-amine
CID 10774358
7-fluoro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine
CID 170676583
4-chloro-6-ethyl-N-methyl-1,3-benzothiazol-2-amine
CID 82549012
6-bromo-4-propan-2-yl-N-propyl-1,3-benzothiazol-2-amine
CID 82549350
2-chloro-N-(4,6-dichloro-1,3-benzothiazol-2-yl)propanamide
CID 17244612
(2S)-N-(4-bromo-6-chloro-1,3-benzothiazol-2-yl)-2-chloropropanamide
CID 28662008
2-chloro-N-(6-chloro-4-ethyl-1,3-benzothiazol-2-yl)propanamide
CID 17244625
4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82105804
4-bromo-6-methoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82549421
6-methoxy-N,4,5-trimethyl-1,3-benzothiazol-2-amine
CID 82548705

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine (CID 140701361) is 6-chloro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine is CNc1nc2c(C(C)C)cc(Cl)cc2s1.
What is the InChIKey of 6-chloro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine?
The InChIKey is OVKRHKBBSOGWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2S/c1-6(2)8-4-7(12)5-9-10(8)14-11(13-3)15-9/h4-6H,1-3H3,(H,13,14).
What are the key properties of 6-chloro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine?
6-chloro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine has a molecular weight of 240.76 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-4-propan-2-yl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 140701361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).