7-chloro-4,5,6-trimethoxy-N-methyl-1,3-benzothiazol-2-amine

C11H13ClN2O3S — CID 96710360

IUPAC7-chloro-4,5,6-trimethoxy-N-methyl-1,3-benzothiazol-2-amine
SMILESCNc1nc2c(OC)c(OC)c(OC)c(Cl)c2s1
InChIInChI=1S/C11H13ClN2O3S/c1-13-11-14-6-8(16-3)9(17-4)7(15-2)5(12)10(6)18-11/h1-4H3,(H,13,14)
InChIKeyXACZBCXLFDFFCY-UHFFFAOYSA-N
MW288.76 g/mol
LogP3.02
Rot. Bonds4

About 7-chloro-4,5,6-trimethoxy-N-methyl-1,3-benzothiazol-2-amine

7-chloro-4,5,6-trimethoxy-N-methyl-1,3-benzothiazol-2-amine (PubChem CID 96710360) has the molecular formula C11H13ClN2O3S and a molecular weight of 288.76 g/mol. Its IUPAC name is 7-chloro-4,5,6-trimethoxy-N-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name7-chloro-4,5,6-trimethoxy-N-methyl-1,3-benzothiazol-2-amine
PubChem CID96710360
Molecular FormulaC11H13ClN2O3S
Molecular Weight288.76 g/mol
Exact Mass288.03
IUPAC Name7-chloro-4,5,6-trimethoxy-N-methyl-1,3-benzothiazol-2-amine
SMILESCNc1nc2c(OC)c(OC)c(OC)c(Cl)c2s1
InChIInChI=1S/C11H13ClN2O3S/c1-13-11-14-6-8(16-3)9(17-4)7(15-2)5(12)10(6)18-11/h1-4H3,(H,13,14)
InChIKeyXACZBCXLFDFFCY-UHFFFAOYSA-N
XLogP3.02
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-chloro-4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82549451
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
5,7-dichloro-N-ethyl-4-methoxy-1,3-benzothiazol-2-amine
CID 82548641
7-chloro-4-methoxy-N-methyl-6-phenylmethoxy-1,3-benzothiazol-2-amine;propane
CID 142389723
6-methoxy-N,4,5-trimethyl-1,3-benzothiazol-2-amine
CID 82548705
5,7-dichloro-4-methoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82548640
6-chloro-N-methyl-4,7-dipropoxy-1,3-benzothiazol-2-amine
CID 82548540
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
5-chloro-6-methoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82549306
2-chloro-4,6-difluoro-7-methoxy-1,3-benzothiazole
CID 134180984

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4,5,6-trimethoxy-N-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 7-chloro-4,5,6-trimethoxy-N-methyl-1,3-benzothiazol-2-amine (CID 96710360) is 7-chloro-4,5,6-trimethoxy-N-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 7-chloro-4,5,6-trimethoxy-N-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 7-chloro-4,5,6-trimethoxy-N-methyl-1,3-benzothiazol-2-amine is CNc1nc2c(OC)c(OC)c(OC)c(Cl)c2s1.
What is the InChIKey of 7-chloro-4,5,6-trimethoxy-N-methyl-1,3-benzothiazol-2-amine?
The InChIKey is XACZBCXLFDFFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3S/c1-13-11-14-6-8(16-3)9(17-4)7(15-2)5(12)10(6)18-11/h1-4H3,(H,13,14).
What are the key properties of 7-chloro-4,5,6-trimethoxy-N-methyl-1,3-benzothiazol-2-amine?
7-chloro-4,5,6-trimethoxy-N-methyl-1,3-benzothiazol-2-amine has a molecular weight of 288.76 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4,5,6-trimethoxy-N-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 96710360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).