5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride

C11H15ClN4S — CID 120902294

IUPAC5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(Cc1ccccn1)Cc1cnc(N)s1.Cl
InChIInChI=1S/C11H14N4S.ClH/c1-15(7-9-4-2-3-5-13-9)8-10-6-14-11(12)16-10;/h2-6H,7-8H2,1H3,(H2,12,14);1H
InChIKeyBBGOTHOSKLDWEU-UHFFFAOYSA-N
MW270.79 g/mol
LogP2.17
Rot. Bonds4

About 5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120902294) has the molecular formula C11H15ClN4S and a molecular weight of 270.79 g/mol. Its IUPAC name is 5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120902294
Molecular FormulaC11H15ClN4S
Molecular Weight270.79 g/mol
Exact Mass270.07
IUPAC Name5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(Cc1ccccn1)Cc1cnc(N)s1.Cl
InChIInChI=1S/C11H14N4S.ClH/c1-15(7-9-4-2-3-5-13-9)8-10-6-14-11(12)16-10;/h2-6H,7-8H2,1H3,(H2,12,14);1H
InChIKeyBBGOTHOSKLDWEU-UHFFFAOYSA-N
XLogP2.17
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.79
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
5-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897486
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
5-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900861
5-[[(3,5-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903914
5-[[(3,4-difluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898326
5-[[methyl(2-pyrazin-2-ylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904268
5-[[methyl-[(1-phenylcyclopropyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904382
4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 43458236
5-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 79772146
5-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine
CID 79772147
5-[[methyl-[(2-pyrrolidin-1-ylphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897770

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120902294) is 5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride is CN(Cc1ccccn1)Cc1cnc(N)s1.Cl.
What is the InChIKey of 5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is BBGOTHOSKLDWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S.ClH/c1-15(7-9-4-2-3-5-13-9)8-10-6-14-11(12)16-10;/h2-6H,7-8H2,1H3,(H2,12,14);1H.
What are the key properties of 5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 270.79 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120902294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).