2-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-2-ol

C11H12N2OS — CID 82422673

IUPAC2-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-2-ol
SMILESCC(C)(O)c1cnc(-c2ccncc2)s1
InChIInChI=1S/C11H12N2OS/c1-11(2,14)9-7-13-10(15-9)8-3-5-12-6-4-8/h3-7,14H,1-2H3
InChIKeyCMJZRGDLPLTVBT-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.43
Rot. Bonds2

About 2-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-2-ol

2-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-2-ol (PubChem CID 82422673) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-2-ol
PubChem CID82422673
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-2-ol
SMILESCC(C)(O)c1cnc(-c2ccncc2)s1
InChIInChI=1S/C11H12N2OS/c1-11(2,14)9-7-13-10(15-9)8-3-5-12-6-4-8/h3-7,14H,1-2H3
InChIKeyCMJZRGDLPLTVBT-UHFFFAOYSA-N
XLogP2.43
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-2-ol?
The IUPAC name of 2-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-2-ol (CID 82422673) is 2-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-2-ol.
What is the SMILES notation for 2-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-2-ol?
The canonical SMILES for 2-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-2-ol is CC(C)(O)c1cnc(-c2ccncc2)s1.
What is the InChIKey of 2-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-2-ol?
The InChIKey is CMJZRGDLPLTVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-11(2,14)9-7-13-10(15-9)8-3-5-12-6-4-8/h3-7,14H,1-2H3.
What are the key properties of 2-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-2-ol?
2-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-2-ol has a molecular weight of 220.30 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-4-yl-1,3-thiazol-5-yl)propan-2-ol is sourced from PubChem (CID 82422673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).