1-(4-tert-butyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanone

C14H16N2OS — CID 82438655

IUPAC1-(4-tert-butyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(-c2ccncc2)nc1C(C)(C)C
InChIInChI=1S/C14H16N2OS/c1-9(17)11-12(14(2,3)4)16-13(18-11)10-5-7-15-8-6-10/h5-8H,1-4H3
InChIKeyHKKHVXOJERLEHR-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.71
Rot. Bonds2

About 1-(4-tert-butyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanone

1-(4-tert-butyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanone (PubChem CID 82438655) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(4-tert-butyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-tert-butyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanone
PubChem CID82438655
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC Name1-(4-tert-butyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(-c2ccncc2)nc1C(C)(C)C
InChIInChI=1S/C14H16N2OS/c1-9(17)11-12(14(2,3)4)16-13(18-11)10-5-7-15-8-6-10/h5-8H,1-4H3
InChIKeyHKKHVXOJERLEHR-UHFFFAOYSA-N
XLogP3.71
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-methylphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone
CID 82541304
1-[4-(4-hydroxyphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone
CID 82541265
4-(5-acetyl-2-pyridin-4-yl-1,3-thiazol-4-yl)benzoic acid
CID 110447711
1-(2-pyridin-4-yl-4-pyrimidin-5-yl-1,3-thiazol-5-yl)ethanone
CID 82541342
2-(4-aminophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid
CID 114358827
1-[4-(3-methylphenyl)-2-pyridin-4-yl-1,3-thiazol-5-yl]ethanone
CID 82541280
1-[2-(4-tert-butylphenyl)-4-ethyl-1,3-thiazol-5-yl]ethanone
CID 82430136
4-tert-butyl-2-[4-(dimethylamino)phenyl]-1,3-thiazole-5-carboxylic acid
CID 114360581
4-tert-butyl-2-(3-fluoro-4-pyridinyl)-1,3-thiazole-5-carboxylic acid
CID 114359390
methyl 2-(4-aminophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylate
CID 114358824
4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
CID 82227122
4-ethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 70479920

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(4-tert-butyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanone (CID 82438655) is 1-(4-tert-butyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-tert-butyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(4-tert-butyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanone is CC(=O)c1sc(-c2ccncc2)nc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanone?
The InChIKey is HKKHVXOJERLEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-9(17)11-12(14(2,3)4)16-13(18-11)10-5-7-15-8-6-10/h5-8H,1-4H3.
What are the key properties of 1-(4-tert-butyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanone?
1-(4-tert-butyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanone has a molecular weight of 260.36 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 82438655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).