3-methoxy-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine

C8H12N2OS — CID 21266616

IUPAC3-methoxy-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine
SMILESCOc1nsc2c1C(N)CCC2
InChIInChI=1S/C8H12N2OS/c1-11-8-7-5(9)3-2-4-6(7)12-10-8/h5H,2-4,9H2,1H3
InChIKeyDHQGEFWEZMBLRW-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.49
Rot. Bonds1

About 3-methoxy-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine

3-methoxy-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine (PubChem CID 21266616) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 3-methoxy-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine.

Molecular Properties

Compound Name3-methoxy-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine
PubChem CID21266616
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name3-methoxy-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine
SMILESCOc1nsc2c1C(N)CCC2
InChIInChI=1S/C8H12N2OS/c1-11-8-7-5(9)3-2-4-6(7)12-10-8/h5H,2-4,9H2,1H3
InChIKeyDHQGEFWEZMBLRW-UHFFFAOYSA-N
XLogP1.49
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine?
The IUPAC name of 3-methoxy-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine (CID 21266616) is 3-methoxy-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine.
What is the SMILES notation for 3-methoxy-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine?
The canonical SMILES for 3-methoxy-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine is COc1nsc2c1C(N)CCC2.
What is the InChIKey of 3-methoxy-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine?
The InChIKey is DHQGEFWEZMBLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-11-8-7-5(9)3-2-4-6(7)12-10-8/h5H,2-4,9H2,1H3.
What are the key properties of 3-methoxy-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine?
3-methoxy-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine has a molecular weight of 184.26 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4,5,6,7-tetrahydro-1,2-benzothiazol-4-amine is sourced from PubChem (CID 21266616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).