[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]methanol

C8H7N3OS — CID 118157267

IUPAC[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]methanol
SMILESOCc1ccnc(-c2nccs2)n1
InChIInChI=1S/C8H7N3OS/c12-5-6-1-2-9-7(11-6)8-10-3-4-13-8/h1-4,12H,5H2
InChIKeyNHBLSZKAVLRZJK-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.09
Rot. Bonds2

About [2-(1,3-thiazol-2-yl)pyrimidin-4-yl]methanol

[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]methanol (PubChem CID 118157267) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is [2-(1,3-thiazol-2-yl)pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]methanol
PubChem CID118157267
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC Name[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]methanol
SMILESOCc1ccnc(-c2nccs2)n1
InChIInChI=1S/C8H7N3OS/c12-5-6-1-2-9-7(11-6)8-10-3-4-13-8/h1-4,12H,5H2
InChIKeyNHBLSZKAVLRZJK-UHFFFAOYSA-N
XLogP1.09
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-thiazol-2-yl)pyrimidin-4-yl]methanol?
The IUPAC name of [2-(1,3-thiazol-2-yl)pyrimidin-4-yl]methanol (CID 118157267) is [2-(1,3-thiazol-2-yl)pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-(1,3-thiazol-2-yl)pyrimidin-4-yl]methanol?
The canonical SMILES for [2-(1,3-thiazol-2-yl)pyrimidin-4-yl]methanol is OCc1ccnc(-c2nccs2)n1.
What is the InChIKey of [2-(1,3-thiazol-2-yl)pyrimidin-4-yl]methanol?
The InChIKey is NHBLSZKAVLRZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS/c12-5-6-1-2-9-7(11-6)8-10-3-4-13-8/h1-4,12H,5H2.
What are the key properties of [2-(1,3-thiazol-2-yl)pyrimidin-4-yl]methanol?
[2-(1,3-thiazol-2-yl)pyrimidin-4-yl]methanol has a molecular weight of 193.23 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-thiazol-2-yl)pyrimidin-4-yl]methanol is sourced from PubChem (CID 118157267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).