2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-(1,3-thiazol-2-yl)ethanone

C17H15N3OS — CID 90901581

IUPAC2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-(1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1cc(CCc2ccccc2)ncn1)c1nccs1
InChIInChI=1S/C17H15N3OS/c21-16(17-18-8-9-22-17)11-15-10-14(19-12-20-15)7-6-13-4-2-1-3-5-13/h1-5,8-10,12H,6-7,11H2
InChIKeyZCPKROCBDKVJNG-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.14
Rot. Bonds6

About 2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-(1,3-thiazol-2-yl)ethanone

2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-(1,3-thiazol-2-yl)ethanone (PubChem CID 90901581) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-(1,3-thiazol-2-yl)ethanone
PubChem CID90901581
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-(1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1cc(CCc2ccccc2)ncn1)c1nccs1
InChIInChI=1S/C17H15N3OS/c21-16(17-18-8-9-22-17)11-15-10-14(19-12-20-15)7-6-13-4-2-1-3-5-13/h1-5,8-10,12H,6-7,11H2
InChIKeyZCPKROCBDKVJNG-UHFFFAOYSA-N
XLogP3.14
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-oxo-3-[6-(2-phenylethyl)pyrimidin-4-yl]propanoate
CID 90753917
4-bromo-6-(2-phenylethyl)pyrimidine
CID 121205692
2-oxo-3-[4-(2-phenylethyl)-2-pyridinyl]propanoic acid
CID 90991624
2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110442320
2-chloro-1-(1,3-thiazol-2-yl)ethanone
CID 22498777
3-[3-(1,3-thiazole-2-carbonyl)phenyl]propanamide
CID 69462546
3-(2-phenylethyl)thiophene-2-carboxylic acid
CID 12703606
1-(6-methoxypyrimidin-4-yl)-4-phenylbutan-2-one
CID 113397442
2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanone
CID 18324407
2-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide
CID 110472120
1-phenyl-2-(1,3-thiazol-2-yl)ethanone;hydrobromide
CID 173018716
4,6-dibenzylpyrimidine
CID 59375742

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-(1,3-thiazol-2-yl)ethanone (CID 90901581) is 2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-(1,3-thiazol-2-yl)ethanone is O=C(Cc1cc(CCc2ccccc2)ncn1)c1nccs1.
What is the InChIKey of 2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-(1,3-thiazol-2-yl)ethanone?
The InChIKey is ZCPKROCBDKVJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c21-16(17-18-8-9-22-17)11-15-10-14(19-12-20-15)7-6-13-4-2-1-3-5-13/h1-5,8-10,12H,6-7,11H2.
What are the key properties of 2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-(1,3-thiazol-2-yl)ethanone?
2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-(1,3-thiazol-2-yl)ethanone has a molecular weight of 309.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 90901581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).