2-(2-chloropyrimidin-4-yl)-1,3-thiazole

C7H4ClN3S — CID 15141651

IUPAC2-(2-chloropyrimidin-4-yl)-1,3-thiazole
SMILESClc1nccc(-c2nccs2)n1
InChIInChI=1S/C7H4ClN3S/c8-7-10-2-1-5(11-7)6-9-3-4-12-6/h1-4H
InChIKeyZXTJGJJEJRAYDP-UHFFFAOYSA-N
MW197.65 g/mol
LogP2.25
Rot. Bonds1

About 2-(2-chloropyrimidin-4-yl)-1,3-thiazole

2-(2-chloropyrimidin-4-yl)-1,3-thiazole (PubChem CID 15141651) has the molecular formula C7H4ClN3S and a molecular weight of 197.65 g/mol. Its IUPAC name is 2-(2-chloropyrimidin-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-chloropyrimidin-4-yl)-1,3-thiazole
PubChem CID15141651
Molecular FormulaC7H4ClN3S
Molecular Weight197.65 g/mol
Exact Mass196.98
IUPAC Name2-(2-chloropyrimidin-4-yl)-1,3-thiazole
SMILESClc1nccc(-c2nccs2)n1
InChIInChI=1S/C7H4ClN3S/c8-7-10-2-1-5(11-7)6-9-3-4-12-6/h1-4H
InChIKeyZXTJGJJEJRAYDP-UHFFFAOYSA-N
XLogP2.25
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.65
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropyrimidin-4-yl)-1,3-thiazole?
The IUPAC name of 2-(2-chloropyrimidin-4-yl)-1,3-thiazole (CID 15141651) is 2-(2-chloropyrimidin-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-(2-chloropyrimidin-4-yl)-1,3-thiazole?
The canonical SMILES for 2-(2-chloropyrimidin-4-yl)-1,3-thiazole is Clc1nccc(-c2nccs2)n1.
What is the InChIKey of 2-(2-chloropyrimidin-4-yl)-1,3-thiazole?
The InChIKey is ZXTJGJJEJRAYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3S/c8-7-10-2-1-5(11-7)6-9-3-4-12-6/h1-4H.
What are the key properties of 2-(2-chloropyrimidin-4-yl)-1,3-thiazole?
2-(2-chloropyrimidin-4-yl)-1,3-thiazole has a molecular weight of 197.65 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloropyrimidin-4-yl)-1,3-thiazole is sourced from PubChem (CID 15141651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).