2-[(6-chloro-2-phenylpyrimidin-4-yl)methyl]-1,3-thiazole

C14H10ClN3S — CID 112559720

IUPAC2-[(6-chloro-2-phenylpyrimidin-4-yl)methyl]-1,3-thiazole
SMILESClc1cc(Cc2nccs2)nc(-c2ccccc2)n1
InChIInChI=1S/C14H10ClN3S/c15-12-8-11(9-13-16-6-7-19-13)17-14(18-12)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyOJFUMYHKVCLBPL-UHFFFAOYSA-N
MW287.78 g/mol
LogP3.84
Rot. Bonds3

About 2-[(6-chloro-2-phenylpyrimidin-4-yl)methyl]-1,3-thiazole

2-[(6-chloro-2-phenylpyrimidin-4-yl)methyl]-1,3-thiazole (PubChem CID 112559720) has the molecular formula C14H10ClN3S and a molecular weight of 287.78 g/mol. Its IUPAC name is 2-[(6-chloro-2-phenylpyrimidin-4-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(6-chloro-2-phenylpyrimidin-4-yl)methyl]-1,3-thiazole
PubChem CID112559720
Molecular FormulaC14H10ClN3S
Molecular Weight287.78 g/mol
Exact Mass287.03
IUPAC Name2-[(6-chloro-2-phenylpyrimidin-4-yl)methyl]-1,3-thiazole
SMILESClc1cc(Cc2nccs2)nc(-c2ccccc2)n1
InChIInChI=1S/C14H10ClN3S/c15-12-8-11(9-13-16-6-7-19-13)17-14(18-12)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyOJFUMYHKVCLBPL-UHFFFAOYSA-N
XLogP3.84
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.78
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-phenylpyrimidin-4-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-[(6-chloro-2-phenylpyrimidin-4-yl)methyl]-1,3-thiazole (CID 112559720) is 2-[(6-chloro-2-phenylpyrimidin-4-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-[(6-chloro-2-phenylpyrimidin-4-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-[(6-chloro-2-phenylpyrimidin-4-yl)methyl]-1,3-thiazole is Clc1cc(Cc2nccs2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-[(6-chloro-2-phenylpyrimidin-4-yl)methyl]-1,3-thiazole?
The InChIKey is OJFUMYHKVCLBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3S/c15-12-8-11(9-13-16-6-7-19-13)17-14(18-12)10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 2-[(6-chloro-2-phenylpyrimidin-4-yl)methyl]-1,3-thiazole?
2-[(6-chloro-2-phenylpyrimidin-4-yl)methyl]-1,3-thiazole has a molecular weight of 287.78 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-phenylpyrimidin-4-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 112559720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).