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

C10H11ClN2O2S — CID 82549451

IUPAC7-chloro-4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine
SMILESCNc1nc2c(OC)cc(OC)c(Cl)c2s1
InChIInChI=1S/C10H11ClN2O2S/c1-12-10-13-8-6(15-3)4-5(14-2)7(11)9(8)16-10/h4H,1-3H3,(H,12,13)
InChIKeyNNENBCISFBCGNV-UHFFFAOYSA-N
MW258.73 g/mol
LogP3.01
Rot. Bonds3

About 7-chloro-4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine

7-chloro-4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine (PubChem CID 82549451) has the molecular formula C10H11ClN2O2S and a molecular weight of 258.73 g/mol. Its IUPAC name is 7-chloro-4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-chloro-4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine
PubChem CID82549451
Molecular FormulaC10H11ClN2O2S
Molecular Weight258.73 g/mol
Exact Mass258.02
IUPAC Name7-chloro-4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine
SMILESCNc1nc2c(OC)cc(OC)c(Cl)c2s1
InChIInChI=1S/C10H11ClN2O2S/c1-12-10-13-8-6(15-3)4-5(14-2)7(11)9(8)16-10/h4H,1-3H3,(H,12,13)
InChIKeyNNENBCISFBCGNV-UHFFFAOYSA-N
XLogP3.01
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-4-methoxy-N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine;propane
CID 142389723
7-chloro-4,5,6-trimethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 96710360
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
5-chloro-6-methoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82549306
6-chloro-4,7-dimethoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82549360
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
5,7-dichloro-4-ethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82548636
4-bromo-6-methoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82549421
N-benzyl-6-chloro-4-methoxy-7-methyl-1,3-benzothiazol-2-amine
CID 82549208
7-chloro-2-[(3,3-difluorocyclohexyl)amino]-4-methoxy-1,3-benzothiazol-6-ol
CID 135157031

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 7-chloro-4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine (CID 82549451) is 7-chloro-4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-chloro-4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-chloro-4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine is CNc1nc2c(OC)cc(OC)c(Cl)c2s1.
What is the InChIKey of 7-chloro-4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine?
The InChIKey is NNENBCISFBCGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S/c1-12-10-13-8-6(15-3)4-5(14-2)7(11)9(8)16-10/h4H,1-3H3,(H,12,13).
What are the key properties of 7-chloro-4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine?
7-chloro-4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine has a molecular weight of 258.73 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82549451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).