1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)propan-1-one

C12H13N3OS — CID 170389034

IUPAC1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)propan-1-one
SMILESCCC(=O)c1sc(-c2ncccn2)nc1CC
InChIInChI=1S/C12H13N3OS/c1-3-8-10(9(16)4-2)17-12(15-8)11-13-6-5-7-14-11/h5-7H,3-4H2,1-2H3
InChIKeyBRBVFWWTKOFGAT-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.76
Rot. Bonds4

About 1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)propan-1-one

1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)propan-1-one (PubChem CID 170389034) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)propan-1-one
PubChem CID170389034
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)propan-1-one
SMILESCCC(=O)c1sc(-c2ncccn2)nc1CC
InChIInChI=1S/C12H13N3OS/c1-3-8-10(9(16)4-2)17-12(15-8)11-13-6-5-7-14-11/h5-7H,3-4H2,1-2H3
InChIKeyBRBVFWWTKOFGAT-UHFFFAOYSA-N
XLogP2.76
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 59579895
N-[3-(diethylamino)-3-oxopropyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 59580049
4-ethyl-N-(2-pyridin-4-ylethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 59579983
4-ethyl-N-[(4-methoxyphenyl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 59580001
4-ethyl-N-[(5-methylpyrazin-2-yl)methyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154570009
4-ethyl-N-[2-(4-methyltriazol-1-yl)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154818152
(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 154821155
4-ethyl-N-[2-(2-fluorophenoxy)ethyl]-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154567007
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-4-ethyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154570205
(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)methanone
CID 59579880
4-ethyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 154819196
1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 104841101

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)propan-1-one?
The IUPAC name of 1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)propan-1-one (CID 170389034) is 1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)propan-1-one?
The canonical SMILES for 1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)propan-1-one is CCC(=O)c1sc(-c2ncccn2)nc1CC.
What is the InChIKey of 1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)propan-1-one?
The InChIKey is BRBVFWWTKOFGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-3-8-10(9(16)4-2)17-12(15-8)11-13-6-5-7-14-11/h5-7H,3-4H2,1-2H3.
What are the key properties of 1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)propan-1-one?
1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)propan-1-one has a molecular weight of 247.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)propan-1-one is sourced from PubChem (CID 170389034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).