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

C17H15N3O2S2 — CID 157119634

IUPAC4,6-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESCOc1cc(OC)c2nc(Nc3nc4c(C)cccc4s3)sc2c1
InChIInChI=1S/C17H15N3O2S2/c1-9-5-4-6-12-14(9)18-16(23-12)20-17-19-15-11(22-3)7-10(21-2)8-13(15)24-17/h4-8H,1-3H3,(H,18,19,20)
InChIKeyDLJIFDACJTZMHL-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.98
Rot. Bonds4

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

4,6-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 157119634) has the molecular formula C17H15N3O2S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 4,6-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
PubChem CID157119634
Molecular FormulaC17H15N3O2S2
Molecular Weight357.46 g/mol
Exact Mass357.06
IUPAC Name4,6-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESCOc1cc(OC)c2nc(Nc3nc4c(C)cccc4s3)sc2c1
InChIInChI=1S/C17H15N3O2S2/c1-9-5-4-6-12-14(9)18-16(23-12)20-17-19-15-11(22-3)7-10(21-2)8-13(15)24-17/h4-8H,1-3H3,(H,18,19,20)
InChIKeyDLJIFDACJTZMHL-UHFFFAOYSA-N
XLogP4.98
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7105763
4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82105804
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
(4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine
CID 5228893
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-amine
CID 43968677
4,6-dimethoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 82105841
2,5-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 4806091
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,6-dimethoxy-1,3-benzothiazol-2-amine
CID 43968745
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1,3,4-oxadiazol-2-amine
CID 43968743
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 4557888
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 43968759

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 4,6-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine (CID 157119634) is 4,6-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine is COc1cc(OC)c2nc(Nc3nc4c(C)cccc4s3)sc2c1.
What is the InChIKey of 4,6-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is DLJIFDACJTZMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S2/c1-9-5-4-6-12-14(9)18-16(23-12)20-17-19-15-11(22-3)7-10(21-2)8-13(15)24-17/h4-8H,1-3H3,(H,18,19,20).
What are the key properties of 4,6-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine?
4,6-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 357.46 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 157119634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).