5-methoxy-[1,3]thiazolo[5,4-e][1,3]benzothiazole-2,7-diamine

C9H8N4OS2 — CID 15180051

IUPAC5-methoxy-[1,3]thiazolo[5,4-e][1,3]benzothiazole-2,7-diamine
SMILESCOc1cc2nc(N)sc2c2nc(N)sc12
InChIInChI=1S/C9H8N4OS2/c1-14-4-2-3-6(15-8(10)12-3)5-7(4)16-9(11)13-5/h2H,1H3,(H2,10,12)(H2,11,13)
InChIKeyXNWHOOKJVJVUHM-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.08
Rot. Bonds1

About 5-methoxy-[1,3]thiazolo[5,4-e][1,3]benzothiazole-2,7-diamine

5-methoxy-[1,3]thiazolo[5,4-e][1,3]benzothiazole-2,7-diamine (PubChem CID 15180051) has the molecular formula C9H8N4OS2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-methoxy-[1,3]thiazolo[5,4-e][1,3]benzothiazole-2,7-diamine.

Molecular Properties

Compound Name5-methoxy-[1,3]thiazolo[5,4-e][1,3]benzothiazole-2,7-diamine
PubChem CID15180051
Molecular FormulaC9H8N4OS2
Molecular Weight252.32 g/mol
Exact Mass252.01
IUPAC Name5-methoxy-[1,3]thiazolo[5,4-e][1,3]benzothiazole-2,7-diamine
SMILESCOc1cc2nc(N)sc2c2nc(N)sc12
InChIInChI=1S/C9H8N4OS2/c1-14-4-2-3-6(15-8(10)12-3)5-7(4)16-9(11)13-5/h2H,1H3,(H2,10,12)(H2,11,13)
InChIKeyXNWHOOKJVJVUHM-UHFFFAOYSA-N
XLogP2.08
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

sodium;4,7-dimethoxy-1,3-benzothiazol-2-amine;thiocyanate
CID 157421038
2-amino-7-methoxy-1,3-benzothiazole-4-carboxylic acid
CID 84689044
4-methoxy-7-N-methyl-1,3-benzothiazole-2,7-diamine
CID 22736978
5-methoxy-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 87877149
5-chloro-7-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 142582350
6,7-dimethoxy-4-nitro-1,3-benzothiazol-2-amine
CID 96710251
5,7-dimethyl-1,3-benzothiazol-2-amine
CID 2049896
4-methoxy-6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine
CID 118371301
4-methoxy-7-(2-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-amine
CID 22283149
4-methoxy-7-thiophen-3-yl-1,3-benzothiazol-2-amine
CID 87471602
5-bromo-7-methyl-1,3-benzothiazol-2-amine
CID 89313345
methyl 2-amino-5-methyl-1,3-benzothiazole-7-carboxylate
CID 130063207

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-[1,3]thiazolo[5,4-e][1,3]benzothiazole-2,7-diamine?
The IUPAC name of 5-methoxy-[1,3]thiazolo[5,4-e][1,3]benzothiazole-2,7-diamine (CID 15180051) is 5-methoxy-[1,3]thiazolo[5,4-e][1,3]benzothiazole-2,7-diamine.
What is the SMILES notation for 5-methoxy-[1,3]thiazolo[5,4-e][1,3]benzothiazole-2,7-diamine?
The canonical SMILES for 5-methoxy-[1,3]thiazolo[5,4-e][1,3]benzothiazole-2,7-diamine is COc1cc2nc(N)sc2c2nc(N)sc12.
What is the InChIKey of 5-methoxy-[1,3]thiazolo[5,4-e][1,3]benzothiazole-2,7-diamine?
The InChIKey is XNWHOOKJVJVUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4OS2/c1-14-4-2-3-6(15-8(10)12-3)5-7(4)16-9(11)13-5/h2H,1H3,(H2,10,12)(H2,11,13).
What are the key properties of 5-methoxy-[1,3]thiazolo[5,4-e][1,3]benzothiazole-2,7-diamine?
5-methoxy-[1,3]thiazolo[5,4-e][1,3]benzothiazole-2,7-diamine has a molecular weight of 252.32 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-[1,3]thiazolo[5,4-e][1,3]benzothiazole-2,7-diamine is sourced from PubChem (CID 15180051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).