2-[[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol;hydrochloride

C10H20ClN3O2S — CID 120900718

IUPAC2-[[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol;hydrochloride
SMILESCN(Cc1cnc(N)s1)CC(C)(CO)CO.Cl
InChIInChI=1S/C10H19N3O2S.ClH/c1-10(6-14,7-15)5-13(2)4-8-3-12-9(11)16-8;/h3,14-15H,4-7H2,1-2H3,(H2,11,12);1H
InChIKeyFSUFZGNRNUWBSS-UHFFFAOYSA-N
MW281.81 g/mol
LogP0.57
Rot. Bonds6

About 2-[[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol;hydrochloride

2-[[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol;hydrochloride (PubChem CID 120900718) has the molecular formula C10H20ClN3O2S and a molecular weight of 281.81 g/mol. Its IUPAC name is 2-[[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol;hydrochloride.

Molecular Properties

Compound Name2-[[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol;hydrochloride
PubChem CID120900718
Molecular FormulaC10H20ClN3O2S
Molecular Weight281.81 g/mol
Exact Mass281.10
IUPAC Name2-[[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol;hydrochloride
SMILESCN(Cc1cnc(N)s1)CC(C)(CO)CO.Cl
InChIInChI=1S/C10H19N3O2S.ClH/c1-10(6-14,7-15)5-13(2)4-8-3-12-9(11)16-8;/h3,14-15H,4-7H2,1-2H3,(H2,11,12);1H
InChIKeyFSUFZGNRNUWBSS-UHFFFAOYSA-N
XLogP0.57
TPSA82.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol;hydrochloride?
The IUPAC name of 2-[[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol;hydrochloride (CID 120900718) is 2-[[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol;hydrochloride.
What is the SMILES notation for 2-[[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol;hydrochloride?
The canonical SMILES for 2-[[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol;hydrochloride is CN(Cc1cnc(N)s1)CC(C)(CO)CO.Cl.
What is the InChIKey of 2-[[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol;hydrochloride?
The InChIKey is FSUFZGNRNUWBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S.ClH/c1-10(6-14,7-15)5-13(2)4-8-3-12-9(11)16-8;/h3,14-15H,4-7H2,1-2H3,(H2,11,12);1H.
What are the key properties of 2-[[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol;hydrochloride?
2-[[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol;hydrochloride has a molecular weight of 281.81 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]methyl]-2-methylpropane-1,3-diol;hydrochloride is sourced from PubChem (CID 120900718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).