6-(aminomethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

C8H13N3S — CID 21057908

IUPAC6-(aminomethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESNCC1CCc2nc(N)sc2C1
InChIInChI=1S/C8H13N3S/c9-4-5-1-2-6-7(3-5)12-8(10)11-6/h5H,1-4,9H2,(H2,10,11)
InChIKeyPCIRPJMDRDNRNE-UHFFFAOYSA-N
MW183.28 g/mol
LogP0.79
Rot. Bonds1

About 6-(aminomethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

6-(aminomethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 21057908) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 6-(aminomethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(aminomethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID21057908
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name6-(aminomethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESNCC1CCc2nc(N)sc2C1
InChIInChI=1S/C8H13N3S/c9-4-5-1-2-6-7(3-5)12-8(10)11-6/h5H,1-4,9H2,(H2,10,11)
InChIKeyPCIRPJMDRDNRNE-UHFFFAOYSA-N
XLogP0.79
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(aminomethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 21057908) is 6-(aminomethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(aminomethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(aminomethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is NCC1CCc2nc(N)sc2C1.
What is the InChIKey of 6-(aminomethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is PCIRPJMDRDNRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c9-4-5-1-2-6-7(3-5)12-8(10)11-6/h5H,1-4,9H2,(H2,10,11).
What are the key properties of 6-(aminomethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
6-(aminomethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 183.28 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 21057908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).