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

C9H8ClN3S — CID 127016569

IUPAC4-(4-chloropyrimidin-2-yl)-2-ethyl-1,3-thiazole
SMILESCCc1nc(-c2nccc(Cl)n2)cs1
InChIInChI=1S/C9H8ClN3S/c1-2-8-12-6(5-14-8)9-11-4-3-7(10)13-9/h3-5H,2H2,1H3
InChIKeyGPPCVRLSOTVQOY-UHFFFAOYSA-N
MW225.70 g/mol
LogP2.82
Rot. Bonds2

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

4-(4-chloropyrimidin-2-yl)-2-ethyl-1,3-thiazole (PubChem CID 127016569) has the molecular formula C9H8ClN3S and a molecular weight of 225.70 g/mol. Its IUPAC name is 4-(4-chloropyrimidin-2-yl)-2-ethyl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chloropyrimidin-2-yl)-2-ethyl-1,3-thiazole
PubChem CID127016569
Molecular FormulaC9H8ClN3S
Molecular Weight225.70 g/mol
Exact Mass225.01
IUPAC Name4-(4-chloropyrimidin-2-yl)-2-ethyl-1,3-thiazole
SMILESCCc1nc(-c2nccc(Cl)n2)cs1
InChIInChI=1S/C9H8ClN3S/c1-2-8-12-6(5-14-8)9-11-4-3-7(10)13-9/h3-5H,2H2,1H3
InChIKeyGPPCVRLSOTVQOY-UHFFFAOYSA-N
XLogP2.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloropyrimidin-2-yl)-2-ethyl-1,3-thiazole?
The IUPAC name of 4-(4-chloropyrimidin-2-yl)-2-ethyl-1,3-thiazole (CID 127016569) is 4-(4-chloropyrimidin-2-yl)-2-ethyl-1,3-thiazole.
What is the SMILES notation for 4-(4-chloropyrimidin-2-yl)-2-ethyl-1,3-thiazole?
The canonical SMILES for 4-(4-chloropyrimidin-2-yl)-2-ethyl-1,3-thiazole is CCc1nc(-c2nccc(Cl)n2)cs1.
What is the InChIKey of 4-(4-chloropyrimidin-2-yl)-2-ethyl-1,3-thiazole?
The InChIKey is GPPCVRLSOTVQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3S/c1-2-8-12-6(5-14-8)9-11-4-3-7(10)13-9/h3-5H,2H2,1H3.
What are the key properties of 4-(4-chloropyrimidin-2-yl)-2-ethyl-1,3-thiazole?
4-(4-chloropyrimidin-2-yl)-2-ethyl-1,3-thiazole has a molecular weight of 225.70 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloropyrimidin-2-yl)-2-ethyl-1,3-thiazole is sourced from PubChem (CID 127016569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).