2-(4-chloro-6-methylpyrimidin-2-yl)-1,3-thiazole

C8H6ClN3S — CID 90979943

IUPAC2-(4-chloro-6-methylpyrimidin-2-yl)-1,3-thiazole
SMILESCc1cc(Cl)nc(-c2nccs2)n1
InChIInChI=1S/C8H6ClN3S/c1-5-4-6(9)12-7(11-5)8-10-2-3-13-8/h2-4H,1H3
InChIKeyDJKXXIOHRXEFJB-UHFFFAOYSA-N
MW211.68 g/mol
LogP2.56
Rot. Bonds1

About 2-(4-chloro-6-methylpyrimidin-2-yl)-1,3-thiazole

2-(4-chloro-6-methylpyrimidin-2-yl)-1,3-thiazole (PubChem CID 90979943) has the molecular formula C8H6ClN3S and a molecular weight of 211.68 g/mol. Its IUPAC name is 2-(4-chloro-6-methylpyrimidin-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chloro-6-methylpyrimidin-2-yl)-1,3-thiazole
PubChem CID90979943
Molecular FormulaC8H6ClN3S
Molecular Weight211.68 g/mol
Exact Mass211.00
IUPAC Name2-(4-chloro-6-methylpyrimidin-2-yl)-1,3-thiazole
SMILESCc1cc(Cl)nc(-c2nccs2)n1
InChIInChI=1S/C8H6ClN3S/c1-5-4-6(9)12-7(11-5)8-10-2-3-13-8/h2-4H,1H3
InChIKeyDJKXXIOHRXEFJB-UHFFFAOYSA-N
XLogP2.56
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.68
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-methylpyrimidin-2-yl)-1,3-thiazole?
The IUPAC name of 2-(4-chloro-6-methylpyrimidin-2-yl)-1,3-thiazole (CID 90979943) is 2-(4-chloro-6-methylpyrimidin-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-(4-chloro-6-methylpyrimidin-2-yl)-1,3-thiazole?
The canonical SMILES for 2-(4-chloro-6-methylpyrimidin-2-yl)-1,3-thiazole is Cc1cc(Cl)nc(-c2nccs2)n1.
What is the InChIKey of 2-(4-chloro-6-methylpyrimidin-2-yl)-1,3-thiazole?
The InChIKey is DJKXXIOHRXEFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3S/c1-5-4-6(9)12-7(11-5)8-10-2-3-13-8/h2-4H,1H3.
What are the key properties of 2-(4-chloro-6-methylpyrimidin-2-yl)-1,3-thiazole?
2-(4-chloro-6-methylpyrimidin-2-yl)-1,3-thiazole has a molecular weight of 211.68 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-methylpyrimidin-2-yl)-1,3-thiazole is sourced from PubChem (CID 90979943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).