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

C10H11N3OS — CID 82425417

IUPAC2-(2-pyrazin-2-yl-1,3-thiazol-5-yl)propan-2-ol
SMILESCC(C)(O)c1cnc(-c2cnccn2)s1
InChIInChI=1S/C10H11N3OS/c1-10(2,14)8-6-13-9(15-8)7-5-11-3-4-12-7/h3-6,14H,1-2H3
InChIKeyYMEQTXUWKOTGRM-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.83
Rot. Bonds2

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

2-(2-pyrazin-2-yl-1,3-thiazol-5-yl)propan-2-ol (PubChem CID 82425417) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-(2-pyrazin-2-yl-1,3-thiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2-pyrazin-2-yl-1,3-thiazol-5-yl)propan-2-ol
PubChem CID82425417
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name2-(2-pyrazin-2-yl-1,3-thiazol-5-yl)propan-2-ol
SMILESCC(C)(O)c1cnc(-c2cnccn2)s1
InChIInChI=1S/C10H11N3OS/c1-10(2,14)8-6-13-9(15-8)7-5-11-3-4-12-7/h3-6,14H,1-2H3
InChIKeyYMEQTXUWKOTGRM-UHFFFAOYSA-N
XLogP1.83
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrazin-2-yl-1,3-thiazol-5-yl)propan-2-ol?
The IUPAC name of 2-(2-pyrazin-2-yl-1,3-thiazol-5-yl)propan-2-ol (CID 82425417) is 2-(2-pyrazin-2-yl-1,3-thiazol-5-yl)propan-2-ol.
What is the SMILES notation for 2-(2-pyrazin-2-yl-1,3-thiazol-5-yl)propan-2-ol?
The canonical SMILES for 2-(2-pyrazin-2-yl-1,3-thiazol-5-yl)propan-2-ol is CC(C)(O)c1cnc(-c2cnccn2)s1.
What is the InChIKey of 2-(2-pyrazin-2-yl-1,3-thiazol-5-yl)propan-2-ol?
The InChIKey is YMEQTXUWKOTGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-10(2,14)8-6-13-9(15-8)7-5-11-3-4-12-7/h3-6,14H,1-2H3.
What are the key properties of 2-(2-pyrazin-2-yl-1,3-thiazol-5-yl)propan-2-ol?
2-(2-pyrazin-2-yl-1,3-thiazol-5-yl)propan-2-ol has a molecular weight of 221.28 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrazin-2-yl-1,3-thiazol-5-yl)propan-2-ol is sourced from PubChem (CID 82425417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).