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

C12H11N3O2S2 — CID 43968726

IUPAC4,6-dimethoxy-N-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESCOc1cc(OC)c2nc(Nc3nccs3)sc2c1
InChIInChI=1S/C12H11N3O2S2/c1-16-7-5-8(17-2)10-9(6-7)19-12(14-10)15-11-13-3-4-18-11/h3-6H,1-2H3,(H,13,14,15)
InChIKeyGQZYSSONRTXWCX-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.51
Rot. Bonds4

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

4,6-dimethoxy-N-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 43968726) has the molecular formula C12H11N3O2S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4,6-dimethoxy-N-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
PubChem CID43968726
Molecular FormulaC12H11N3O2S2
Molecular Weight293.37 g/mol
Exact Mass293.03
IUPAC Name4,6-dimethoxy-N-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
SMILESCOc1cc(OC)c2nc(Nc3nccs3)sc2c1
InChIInChI=1S/C12H11N3O2S2/c1-16-7-5-8(17-2)10-9(6-7)19-12(14-10)15-11-13-3-4-18-11/h3-6H,1-2H3,(H,13,14,15)
InChIKeyGQZYSSONRTXWCX-UHFFFAOYSA-N
XLogP3.51
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82105804
(4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine
CID 5228893
4,6-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 157119634
N-(4-fluorophenyl)-4,6-dimethoxy-1,3-benzothiazol-2-amine
CID 43968741
4,6-dimethoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 82105841
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-amine
CID 43968677
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 43968759
ethyl 2-[2-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)amino]-1,3-thiazol-4-yl]acetate
CID 43968648
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)carbamothioyl]acetamide
CID 3297361
N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-(furan-2-yl)-1,3,4-oxadiazol-2-amine
CID 43968743
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 7105763

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 4,6-dimethoxy-N-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine (CID 43968726) is 4,6-dimethoxy-N-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine is COc1cc(OC)c2nc(Nc3nccs3)sc2c1.
What is the InChIKey of 4,6-dimethoxy-N-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is GQZYSSONRTXWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2S2/c1-16-7-5-8(17-2)10-9(6-7)19-12(14-10)15-11-13-3-4-18-11/h3-6H,1-2H3,(H,13,14,15).
What are the key properties of 4,6-dimethoxy-N-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine?
4,6-dimethoxy-N-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 293.37 g/mol, XLogP of 3.51, 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-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 43968726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).