[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]methanediol

C14H17N3O3S — CID 123239899

IUPAC[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]methanediol
SMILESOC(O)c1nc(-c2ccncc2)sc1CN1CCOCC1
InChIInChI=1S/C14H17N3O3S/c18-14(19)12-11(9-17-5-7-20-8-6-17)21-13(16-12)10-1-3-15-4-2-10/h1-4,14,18-19H,5-9H2
InChIKeyCGUUILYIODWYTR-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.02
Rot. Bonds4

About [5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]methanediol

[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]methanediol (PubChem CID 123239899) has the molecular formula C14H17N3O3S and a molecular weight of 307.37 g/mol. Its IUPAC name is [5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]methanediol.

Molecular Properties

Compound Name[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]methanediol
PubChem CID123239899
Molecular FormulaC14H17N3O3S
Molecular Weight307.37 g/mol
Exact Mass307.10
IUPAC Name[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]methanediol
SMILESOC(O)c1nc(-c2ccncc2)sc1CN1CCOCC1
InChIInChI=1S/C14H17N3O3S/c18-14(19)12-11(9-17-5-7-20-8-6-17)21-13(16-12)10-1-3-15-4-2-10/h1-4,14,18-19H,5-9H2
InChIKeyCGUUILYIODWYTR-UHFFFAOYSA-N
XLogP1.02
TPSA78.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]methanediol?
The IUPAC name of [5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]methanediol (CID 123239899) is [5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]methanediol.
What is the SMILES notation for [5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]methanediol?
The canonical SMILES for [5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]methanediol is OC(O)c1nc(-c2ccncc2)sc1CN1CCOCC1.
What is the InChIKey of [5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]methanediol?
The InChIKey is CGUUILYIODWYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c18-14(19)12-11(9-17-5-7-20-8-6-17)21-13(16-12)10-1-3-15-4-2-10/h1-4,14,18-19H,5-9H2.
What are the key properties of [5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]methanediol?
[5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]methanediol has a molecular weight of 307.37 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(morpholin-4-ylmethyl)-2-pyridin-4-yl-1,3-thiazol-4-yl]methanediol is sourced from PubChem (CID 123239899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).