2-(aminomethyl)-N,N-dimethyl-1,3-benzothiazol-5-amine;hydrochloride

C10H14ClN3S — CID 175848519

IUPAC2-(aminomethyl)-N,N-dimethyl-1,3-benzothiazol-5-amine;hydrochloride
SMILESCN(C)c1ccc2sc(CN)nc2c1.Cl
InChIInChI=1S/C10H13N3S.ClH/c1-13(2)7-3-4-9-8(5-7)12-10(6-11)14-9;/h3-5H,6,11H2,1-2H3;1H
InChIKeyYQMRBKSZYICTCX-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.24
Rot. Bonds2

About 2-(aminomethyl)-N,N-dimethyl-1,3-benzothiazol-5-amine;hydrochloride

2-(aminomethyl)-N,N-dimethyl-1,3-benzothiazol-5-amine;hydrochloride (PubChem CID 175848519) has the molecular formula C10H14ClN3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 2-(aminomethyl)-N,N-dimethyl-1,3-benzothiazol-5-amine;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N,N-dimethyl-1,3-benzothiazol-5-amine;hydrochloride
PubChem CID175848519
Molecular FormulaC10H14ClN3S
Molecular Weight243.76 g/mol
Exact Mass243.06
IUPAC Name2-(aminomethyl)-N,N-dimethyl-1,3-benzothiazol-5-amine;hydrochloride
SMILESCN(C)c1ccc2sc(CN)nc2c1.Cl
InChIInChI=1S/C10H13N3S.ClH/c1-13(2)7-3-4-9-8(5-7)12-10(6-11)14-9;/h3-5H,6,11H2,1-2H3;1H
InChIKeyYQMRBKSZYICTCX-UHFFFAOYSA-N
XLogP2.24
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N,N-dimethyl-1,3-benzothiazol-5-amine;hydrochloride?
The IUPAC name of 2-(aminomethyl)-N,N-dimethyl-1,3-benzothiazol-5-amine;hydrochloride (CID 175848519) is 2-(aminomethyl)-N,N-dimethyl-1,3-benzothiazol-5-amine;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N,N-dimethyl-1,3-benzothiazol-5-amine;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-N,N-dimethyl-1,3-benzothiazol-5-amine;hydrochloride is CN(C)c1ccc2sc(CN)nc2c1.Cl.
What is the InChIKey of 2-(aminomethyl)-N,N-dimethyl-1,3-benzothiazol-5-amine;hydrochloride?
The InChIKey is YQMRBKSZYICTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S.ClH/c1-13(2)7-3-4-9-8(5-7)12-10(6-11)14-9;/h3-5H,6,11H2,1-2H3;1H.
What are the key properties of 2-(aminomethyl)-N,N-dimethyl-1,3-benzothiazol-5-amine;hydrochloride?
2-(aminomethyl)-N,N-dimethyl-1,3-benzothiazol-5-amine;hydrochloride has a molecular weight of 243.76 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,N-dimethyl-1,3-benzothiazol-5-amine;hydrochloride is sourced from PubChem (CID 175848519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).