2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine

C7H12N2S — CID 67384843

IUPAC2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine
SMILESNC1NC2=C(CCCC2)S1
InChIInChI=1S/C7H12N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h7,9H,1-4,8H2
InChIKeyLMAGIZHMMAWWGJ-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.35
Rot. Bonds

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

2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine (PubChem CID 67384843) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine
PubChem CID67384843
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine
SMILESNC1NC2=C(CCCC2)S1
InChIInChI=1S/C7H12N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h7,9H,1-4,8H2
InChIKeyLMAGIZHMMAWWGJ-UHFFFAOYSA-N
XLogP1.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine?
The IUPAC name of 2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine (CID 67384843) is 2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for 2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine is NC1NC2=C(CCCC2)S1.
What is the InChIKey of 2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine?
The InChIKey is LMAGIZHMMAWWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h7,9H,1-4,8H2.
What are the key properties of 2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine?
2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine has a molecular weight of 156.25 g/mol, XLogP of 1.35, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6,7-hexahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 67384843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).