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

C10H12N2O2S — CID 82105804

IUPAC4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine
SMILESCNc1nc2c(OC)cc(OC)cc2s1
InChIInChI=1S/C10H12N2O2S/c1-11-10-12-9-7(14-3)4-6(13-2)5-8(9)15-10/h4-5H,1-3H3,(H,11,12)
InChIKeyVYCCPCBRLLAOTL-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.36
Rot. Bonds3

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

4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine (PubChem CID 82105804) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine
PubChem CID82105804
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine
SMILESCNc1nc2c(OC)cc(OC)cc2s1
InChIInChI=1S/C10H12N2O2S/c1-11-10-12-9-7(14-3)4-6(13-2)5-8(9)15-10/h4-5H,1-3H3,(H,11,12)
InChIKeyVYCCPCBRLLAOTL-UHFFFAOYSA-N
XLogP2.36
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine
CID 5228893
4-bromo-6-methoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82549421
4,6-dimethoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 82105841
4,6-dimethoxy-N-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 43968726
N-(4-fluorophenyl)-4,6-dimethoxy-1,3-benzothiazol-2-amine
CID 43968741
6-methoxy-N,4,5-trimethyl-1,3-benzothiazol-2-amine
CID 82548705
4,6-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 157119634
N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]acetamide
CID 3297361
6-[(2-bromo-4-pyridinyl)methoxy]-4-methoxy-N-methyl-1,3-benzothiazol-2-amine;propane
CID 142389739
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)benzohydrazide
CID 43953260
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 4557888
N'-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methoxybenzohydrazide
CID 43953280

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of 4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine (CID 82105804) is 4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine is CNc1nc2c(OC)cc(OC)cc2s1.
What is the InChIKey of 4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine?
The InChIKey is VYCCPCBRLLAOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-11-10-12-9-7(14-3)4-6(13-2)5-8(9)15-10/h4-5H,1-3H3,(H,11,12).
What are the key properties of 4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine?
4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine has a molecular weight of 224.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82105804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).