(5-chloro-1,3-thiazol-2-yl)-pyrimidin-5-ylmethanol

C8H6ClN3OS — CID 107124813

IUPAC(5-chloro-1,3-thiazol-2-yl)-pyrimidin-5-ylmethanol
SMILESOC(c1cncnc1)c1ncc(Cl)s1
InChIInChI=1S/C8H6ClN3OS/c9-6-3-12-8(14-6)7(13)5-1-10-4-11-2-5/h1-4,7,13H
InChIKeyGJHRLVAUVQOKCK-UHFFFAOYSA-N
MW227.68 g/mol
LogP1.67
Rot. Bonds2

About (5-chloro-1,3-thiazol-2-yl)-pyrimidin-5-ylmethanol

(5-chloro-1,3-thiazol-2-yl)-pyrimidin-5-ylmethanol (PubChem CID 107124813) has the molecular formula C8H6ClN3OS and a molecular weight of 227.68 g/mol. Its IUPAC name is (5-chloro-1,3-thiazol-2-yl)-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name(5-chloro-1,3-thiazol-2-yl)-pyrimidin-5-ylmethanol
PubChem CID107124813
Molecular FormulaC8H6ClN3OS
Molecular Weight227.68 g/mol
Exact Mass226.99
IUPAC Name(5-chloro-1,3-thiazol-2-yl)-pyrimidin-5-ylmethanol
SMILESOC(c1cncnc1)c1ncc(Cl)s1
InChIInChI=1S/C8H6ClN3OS/c9-6-3-12-8(14-6)7(13)5-1-10-4-11-2-5/h1-4,7,13H
InChIKeyGJHRLVAUVQOKCK-UHFFFAOYSA-N
XLogP1.67
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.68
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,3-thiazol-2-yl)-pyrimidin-5-ylmethanol?
The IUPAC name of (5-chloro-1,3-thiazol-2-yl)-pyrimidin-5-ylmethanol (CID 107124813) is (5-chloro-1,3-thiazol-2-yl)-pyrimidin-5-ylmethanol.
What is the SMILES notation for (5-chloro-1,3-thiazol-2-yl)-pyrimidin-5-ylmethanol?
The canonical SMILES for (5-chloro-1,3-thiazol-2-yl)-pyrimidin-5-ylmethanol is OC(c1cncnc1)c1ncc(Cl)s1.
What is the InChIKey of (5-chloro-1,3-thiazol-2-yl)-pyrimidin-5-ylmethanol?
The InChIKey is GJHRLVAUVQOKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3OS/c9-6-3-12-8(14-6)7(13)5-1-10-4-11-2-5/h1-4,7,13H.
What are the key properties of (5-chloro-1,3-thiazol-2-yl)-pyrimidin-5-ylmethanol?
(5-chloro-1,3-thiazol-2-yl)-pyrimidin-5-ylmethanol has a molecular weight of 227.68 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1,3-thiazol-2-yl)-pyrimidin-5-ylmethanol is sourced from PubChem (CID 107124813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).