2-(4-phenyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanone

C15H11N3OS — CID 102923178

IUPAC2-(4-phenyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanone
SMILESO=C(Cc1nc(-c2ccccc2)cs1)c1cncnc1
InChIInChI=1S/C15H11N3OS/c19-14(12-7-16-10-17-8-12)6-15-18-13(9-20-15)11-4-2-1-3-5-11/h1-5,7-10H,6H2
InChIKeyGNCWBYFYGOULEY-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.03
Rot. Bonds4

About 2-(4-phenyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanone

2-(4-phenyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanone (PubChem CID 102923178) has the molecular formula C15H11N3OS and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-(4-phenyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanone.

Molecular Properties

Compound Name2-(4-phenyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanone
PubChem CID102923178
Molecular FormulaC15H11N3OS
Molecular Weight281.34 g/mol
Exact Mass281.06
IUPAC Name2-(4-phenyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanone
SMILESO=C(Cc1nc(-c2ccccc2)cs1)c1cncnc1
InChIInChI=1S/C15H11N3OS/c19-14(12-7-16-10-17-8-12)6-15-18-13(9-20-15)11-4-2-1-3-5-11/h1-5,7-10H,6H2
InChIKeyGNCWBYFYGOULEY-UHFFFAOYSA-N
XLogP3.03
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-phenyl-1,3-thiazol-2-yl)-1-pyridin-3-ylethanone
CID 112731528
1-(2-chloro-4-pyridinyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 112731541
2-(4-phenyl-1,3-thiazol-2-yl)-1-(thiadiazol-4-yl)ethanone
CID 105113691
1-(5-bromofuran-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 115781573
4-(4-phenyl-1,3-thiazol-2-yl)butan-2-one
CID 82115866
1-(1,3-dimethylpyrazol-4-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 102802826
2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide
CID 724012
1-[4-[2-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1,3-thiazol-4-yl]phenyl]propan-2-one
CID 147105479
2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4566516
N'-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)ethanimidamide
CID 73448477
1-tert-butylsulfanyl-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-one
CID 79819644
3-amino-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-one
CID 116554751

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanone?
The IUPAC name of 2-(4-phenyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanone (CID 102923178) is 2-(4-phenyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanone.
What is the SMILES notation for 2-(4-phenyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanone?
The canonical SMILES for 2-(4-phenyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanone is O=C(Cc1nc(-c2ccccc2)cs1)c1cncnc1.
What is the InChIKey of 2-(4-phenyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanone?
The InChIKey is GNCWBYFYGOULEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS/c19-14(12-7-16-10-17-8-12)6-15-18-13(9-20-15)11-4-2-1-3-5-11/h1-5,7-10H,6H2.
What are the key properties of 2-(4-phenyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanone?
2-(4-phenyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanone has a molecular weight of 281.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanone is sourced from PubChem (CID 102923178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).