(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride

C9H15ClN2S — CID 3059978

IUPAC(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride
SMILESCc1nc2c(s1)CC(CN)CC2.Cl
InChIInChI=1S/C9H14N2S.ClH/c1-6-11-8-3-2-7(5-10)4-9(8)12-6;/h7H,2-5,10H2,1H3;1H
InChIKeyRWGPWSNGRKLUNX-UHFFFAOYSA-N
MW218.75 g/mol
LogP1.94
Rot. Bonds1

About (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride

(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride (PubChem CID 3059978) has the molecular formula C9H15ClN2S and a molecular weight of 218.75 g/mol. Its IUPAC name is (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride
PubChem CID3059978
Molecular FormulaC9H15ClN2S
Molecular Weight218.75 g/mol
Exact Mass218.06
IUPAC Name(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride
SMILESCc1nc2c(s1)CC(CN)CC2.Cl
InChIInChI=1S/C9H14N2S.ClH/c1-6-11-8-3-2-7(5-10)4-9(8)12-6;/h7H,2-5,10H2,1H3;1H
InChIKeyRWGPWSNGRKLUNX-UHFFFAOYSA-N
XLogP1.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.75
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride?
The IUPAC name of (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride (CID 3059978) is (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride.
What is the SMILES notation for (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride?
The canonical SMILES for (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride is Cc1nc2c(s1)CC(CN)CC2.Cl.
What is the InChIKey of (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride?
The InChIKey is RWGPWSNGRKLUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S.ClH/c1-6-11-8-3-2-7(5-10)4-9(8)12-6;/h7H,2-5,10H2,1H3;1H.
What are the key properties of (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride?
(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride has a molecular weight of 218.75 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)methanamine;hydrochloride is sourced from PubChem (CID 3059978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).