5-methoxy-1,2-benzothiazol-3-amine

C8H8N2OS — CID 10035208

IUPAC5-methoxy-1,2-benzothiazol-3-amine
SMILESCOc1ccc2snc(N)c2c1
InChIInChI=1S/C8H8N2OS/c1-11-5-2-3-7-6(4-5)8(9)10-12-7/h2-4H,1H3,(H2,9,10)
InChIKeyHLIHDGWAMIDISU-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.89
Rot. Bonds1

About 5-methoxy-1,2-benzothiazol-3-amine

5-methoxy-1,2-benzothiazol-3-amine (PubChem CID 10035208) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 5-methoxy-1,2-benzothiazol-3-amine.

Molecular Properties

Compound Name5-methoxy-1,2-benzothiazol-3-amine
PubChem CID10035208
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name5-methoxy-1,2-benzothiazol-3-amine
SMILESCOc1ccc2snc(N)c2c1
InChIInChI=1S/C8H8N2OS/c1-11-5-2-3-7-6(4-5)8(9)10-12-7/h2-4H,1H3,(H2,9,10)
InChIKeyHLIHDGWAMIDISU-UHFFFAOYSA-N
XLogP1.89
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Methoxy-3-piperazin-1-yl-benzo[d]isothiazole (1.1HCl.0.15H2O)
CID 15169804
3-Methoxy-1,2-benzisothiazole
CID 38736
N-(1,2-benzothiazol-3-yl)-1-(4-methoxyphenyl)methanimine
CID 511722
7-Methoxy-3-methylbenzo[d]isothiazole
CID 13952025
3-Methoxy-5-(oxiranylmethoxy)-1,2-benzisothiazole
CID 198770
5-Methoxy-3-[4-(trifluoromethyl)phenyl]-1,2-benzothiazole
CID 146163285
5-Methoxy-3-methylbenzo[d]isothiazole
CID 12607085
7-Methoxybenzo[d]isothiazole
CID 13123247
7-Methoxybenzo[d]isothiazol-3-amine
CID 13123248
[4-(Difluoromethoxy)-1,2-benzothiazol-3-yl]imino-dimethyl-lambda4-sulfane
CID 59141937
4-(difluoromethoxy)-N-(3,4-dihydro-2H-thiophen-1-yl)-1,2-benzothiazol-3-amine
CID 91095998
3-(Fluoromethoxy)-1,2-benzothiazole
CID 139613345

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,2-benzothiazol-3-amine?
The IUPAC name of 5-methoxy-1,2-benzothiazol-3-amine (CID 10035208) is 5-methoxy-1,2-benzothiazol-3-amine.
What is the SMILES notation for 5-methoxy-1,2-benzothiazol-3-amine?
The canonical SMILES for 5-methoxy-1,2-benzothiazol-3-amine is COc1ccc2snc(N)c2c1.
What is the InChIKey of 5-methoxy-1,2-benzothiazol-3-amine?
The InChIKey is HLIHDGWAMIDISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-11-5-2-3-7-6(4-5)8(9)10-12-7/h2-4H,1H3,(H2,9,10).
What are the key properties of 5-methoxy-1,2-benzothiazol-3-amine?
5-methoxy-1,2-benzothiazol-3-amine has a molecular weight of 180.23 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,2-benzothiazol-3-amine is sourced from PubChem (CID 10035208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).