[3-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]phenyl]methanol

C16H13N3OS — CID 145104306

IUPAC[3-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]phenyl]methanol
SMILESC=Nc1nc(-c2cccc(-c3cccc(CO)c3)n2)cs1
InChIInChI=1S/C16H13N3OS/c1-17-16-19-15(10-21-16)14-7-3-6-13(18-14)12-5-2-4-11(8-12)9-20/h2-8,10,20H,1,9H2
InChIKeySAHTVXDBBSMZCM-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.70
Rot. Bonds4

About [3-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]phenyl]methanol

[3-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]phenyl]methanol (PubChem CID 145104306) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is [3-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]phenyl]methanol
PubChem CID145104306
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name[3-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]phenyl]methanol
SMILESC=Nc1nc(-c2cccc(-c3cccc(CO)c3)n2)cs1
InChIInChI=1S/C16H13N3OS/c1-17-16-19-15(10-21-16)14-7-3-6-13(18-14)12-5-2-4-11(8-12)9-20/h2-8,10,20H,1,9H2
InChIKeySAHTVXDBBSMZCM-UHFFFAOYSA-N
XLogP3.70
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]phenyl]methanol?
The IUPAC name of [3-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]phenyl]methanol (CID 145104306) is [3-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]phenyl]methanol.
What is the SMILES notation for [3-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]phenyl]methanol?
The canonical SMILES for [3-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]phenyl]methanol is C=Nc1nc(-c2cccc(-c3cccc(CO)c3)n2)cs1.
What is the InChIKey of [3-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]phenyl]methanol?
The InChIKey is SAHTVXDBBSMZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-17-16-19-15(10-21-16)14-7-3-6-13(18-14)12-5-2-4-11(8-12)9-20/h2-8,10,20H,1,9H2.
What are the key properties of [3-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]phenyl]methanol?
[3-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]phenyl]methanol has a molecular weight of 295.37 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-[2-(methylideneamino)-1,3-thiazol-4-yl]-2-pyridinyl]phenyl]methanol is sourced from PubChem (CID 145104306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).