2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)ethanone

C15H18N2OS — CID 79820339

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)ethanone
SMILESCc1ccnc(C(=O)Cc2nc(C(C)(C)C)cs2)c1
InChIInChI=1S/C15H18N2OS/c1-10-5-6-16-11(7-10)12(18)8-14-17-13(9-19-14)15(2,3)4/h5-7,9H,8H2,1-4H3
InChIKeyFHTISKAKKLTWKI-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.57
Rot. Bonds3

About 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)ethanone

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)ethanone (PubChem CID 79820339) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)ethanone
PubChem CID79820339
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)ethanone
SMILESCc1ccnc(C(=O)Cc2nc(C(C)(C)C)cs2)c1
InChIInChI=1S/C15H18N2OS/c1-10-5-6-16-11(7-10)12(18)8-14-17-13(9-19-14)15(2,3)4/h5-7,9H,8H2,1-4H3
InChIKeyFHTISKAKKLTWKI-UHFFFAOYSA-N
XLogP3.57
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methyl-2-pyridinyl)-2-(1,3-thiazol-2-yl)ethanone
CID 79823558
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3,5-difluorophenyl)ethanone
CID 79820414
1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethylpentan-2-one
CID 79820417
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2,5-difluorophenyl)ethanone
CID 79820179
3,3-dimethyl-1-(4-methyl-2-pyridinyl)butan-1-one
CID 55265069
2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 58349271
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(cyclopenten-1-yl)ethanone
CID 103448116
1-[4-[2-(4-tert-butyl-1,3-thiazol-2-yl)acetyl]phenyl]propan-2-one
CID 149310897
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-2-methylphenyl)ethanone
CID 107101733
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 115787104
3-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylbutan-2-one
CID 116563946
1-(1-benzothiophen-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanone
CID 115787084

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)ethanone?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)ethanone (CID 79820339) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)ethanone is Cc1ccnc(C(=O)Cc2nc(C(C)(C)C)cs2)c1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)ethanone?
The InChIKey is FHTISKAKKLTWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-5-6-16-11(7-10)12(18)8-14-17-13(9-19-14)15(2,3)4/h5-7,9H,8H2,1-4H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)ethanone?
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)ethanone has a molecular weight of 274.39 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 79820339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).