4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine;hydrochloride

C8H13ClN2S — CID 71299254

IUPAC4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine;hydrochloride
SMILESCl.NCc1nc2c(s1)CCCC2
InChIInChI=1S/C8H12N2S.ClH/c9-5-8-10-6-3-1-2-4-7(6)11-8;/h1-5,9H2;1H
InChIKeyFSKAGYIRPNZFDI-UHFFFAOYSA-N
MW204.73 g/mol
LogP1.90
Rot. Bonds1

About 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine;hydrochloride

4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine;hydrochloride (PubChem CID 71299254) has the molecular formula C8H13ClN2S and a molecular weight of 204.73 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine;hydrochloride
PubChem CID71299254
Molecular FormulaC8H13ClN2S
Molecular Weight204.73 g/mol
Exact Mass204.05
IUPAC Name4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine;hydrochloride
SMILESCl.NCc1nc2c(s1)CCCC2
InChIInChI=1S/C8H12N2S.ClH/c9-5-8-10-6-3-1-2-4-7(6)11-8;/h1-5,9H2;1H
InChIKeyFSKAGYIRPNZFDI-UHFFFAOYSA-N
XLogP1.90
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.73
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine;hydrochloride?
The IUPAC name of 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine;hydrochloride (CID 71299254) is 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine;hydrochloride.
What is the SMILES notation for 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine;hydrochloride?
The canonical SMILES for 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine;hydrochloride is Cl.NCc1nc2c(s1)CCCC2.
What is the InChIKey of 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine;hydrochloride?
The InChIKey is FSKAGYIRPNZFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S.ClH/c9-5-8-10-6-3-1-2-4-7(6)11-8;/h1-5,9H2;1H.
What are the key properties of 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine;hydrochloride?
4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine;hydrochloride has a molecular weight of 204.73 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethanamine;hydrochloride is sourced from PubChem (CID 71299254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).