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

C8H13ClN2S — CID 2760075

IUPAC6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydrochloride
SMILESCC1CCc2nc(N)sc2C1.Cl
InChIInChI=1S/C8H12N2S.ClH/c1-5-2-3-6-7(4-5)11-8(9)10-6;/h5H,2-4H2,1H3,(H2,9,10);1H
InChIKeyMVNMNJDPBVMPRX-UHFFFAOYSA-N
MW204.73 g/mol
LogP2.27
Rot. Bonds

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

6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydrochloride (PubChem CID 2760075) has the molecular formula C8H13ClN2S and a molecular weight of 204.73 g/mol. Its IUPAC name is 6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydrochloride
PubChem CID2760075
Molecular FormulaC8H13ClN2S
Molecular Weight204.73 g/mol
Exact Mass204.05
IUPAC Name6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydrochloride
SMILESCC1CCc2nc(N)sc2C1.Cl
InChIInChI=1S/C8H12N2S.ClH/c1-5-2-3-6-7(4-5)11-8(9)10-6;/h5H,2-4H2,1H3,(H2,9,10);1H
InChIKeyMVNMNJDPBVMPRX-UHFFFAOYSA-N
XLogP2.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.73
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydrochloride?
The IUPAC name of 6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydrochloride (CID 2760075) is 6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydrochloride.
What is the SMILES notation for 6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydrochloride?
The canonical SMILES for 6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydrochloride is CC1CCc2nc(N)sc2C1.Cl.
What is the InChIKey of 6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydrochloride?
The InChIKey is MVNMNJDPBVMPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S.ClH/c1-5-2-3-6-7(4-5)11-8(9)10-6;/h5H,2-4H2,1H3,(H2,9,10);1H.
What are the key properties of 6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydrochloride?
6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydrochloride has a molecular weight of 204.73 g/mol, XLogP of 2.27, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;hydrochloride is sourced from PubChem (CID 2760075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).