5-(hydroxymethyl)-2-methyl-4-[(E)-[(5-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]pyridin-3-ol;hydrochloride

C12H15ClN4O2S — CID 135502374

IUPAC5-(hydroxymethyl)-2-methyl-4-[(E)-[(5-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]pyridin-3-ol;hydrochloride
SMILESCc1cnc(N/N=C/c2c(CO)cnc(C)c2O)s1.Cl
InChIInChI=1S/C12H14N4O2S.ClH/c1-7-3-14-12(19-7)16-15-5-10-9(6-17)4-13-8(2)11(10)18;/h3-5,17-18H,6H2,1-2H3,(H,14,16);1H/b15-5+;
InChIKeyVBNGCDQTHFLQTO-GBDQXREISA-N
MW314.80 g/mol
LogP2.22
Rot. Bonds4

About 5-(hydroxymethyl)-2-methyl-4-[(E)-[(5-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]pyridin-3-ol;hydrochloride

5-(hydroxymethyl)-2-methyl-4-[(E)-[(5-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]pyridin-3-ol;hydrochloride (PubChem CID 135502374) has the molecular formula C12H15ClN4O2S and a molecular weight of 314.80 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-methyl-4-[(E)-[(5-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]pyridin-3-ol;hydrochloride.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-methyl-4-[(E)-[(5-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]pyridin-3-ol;hydrochloride
PubChem CID135502374
Molecular FormulaC12H15ClN4O2S
Molecular Weight314.80 g/mol
Exact Mass314.06
IUPAC Name5-(hydroxymethyl)-2-methyl-4-[(E)-[(5-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]pyridin-3-ol;hydrochloride
SMILESCc1cnc(N/N=C/c2c(CO)cnc(C)c2O)s1.Cl
InChIInChI=1S/C12H14N4O2S.ClH/c1-7-3-14-12(19-7)16-15-5-10-9(6-17)4-13-8(2)11(10)18;/h3-5,17-18H,6H2,1-2H3,(H,14,16);1H/b15-5+;
InChIKeyVBNGCDQTHFLQTO-GBDQXREISA-N
XLogP2.22
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[(E)-[(5-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]pyridin-3-ol;hydrochloride?
The IUPAC name of 5-(hydroxymethyl)-2-methyl-4-[(E)-[(5-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]pyridin-3-ol;hydrochloride (CID 135502374) is 5-(hydroxymethyl)-2-methyl-4-[(E)-[(5-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]pyridin-3-ol;hydrochloride.
What is the SMILES notation for 5-(hydroxymethyl)-2-methyl-4-[(E)-[(5-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]pyridin-3-ol;hydrochloride?
The canonical SMILES for 5-(hydroxymethyl)-2-methyl-4-[(E)-[(5-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]pyridin-3-ol;hydrochloride is Cc1cnc(N/N=C/c2c(CO)cnc(C)c2O)s1.Cl.
What is the InChIKey of 5-(hydroxymethyl)-2-methyl-4-[(E)-[(5-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]pyridin-3-ol;hydrochloride?
The InChIKey is VBNGCDQTHFLQTO-GBDQXREISA-N. The full InChI is InChI=1S/C12H14N4O2S.ClH/c1-7-3-14-12(19-7)16-15-5-10-9(6-17)4-13-8(2)11(10)18;/h3-5,17-18H,6H2,1-2H3,(H,14,16);1H/b15-5+;.
What are the key properties of 5-(hydroxymethyl)-2-methyl-4-[(E)-[(5-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]pyridin-3-ol;hydrochloride?
5-(hydroxymethyl)-2-methyl-4-[(E)-[(5-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]pyridin-3-ol;hydrochloride has a molecular weight of 314.80 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-methyl-4-[(E)-[(5-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]pyridin-3-ol;hydrochloride is sourced from PubChem (CID 135502374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).