1-(4-methyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)ethanone

C13H10N2OS2 — CID 81143050

IUPAC1-(4-methyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(-c2cnc3ccsc3c2)nc1C
InChIInChI=1S/C13H10N2OS2/c1-7-12(8(2)16)18-13(15-7)9-5-11-10(14-6-9)3-4-17-11/h3-6H,1-2H3
InChIKeyPPBZLVRGCOIXCM-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.93
Rot. Bonds2

About 1-(4-methyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)ethanone

1-(4-methyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)ethanone (PubChem CID 81143050) has the molecular formula C13H10N2OS2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-(4-methyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)ethanone
PubChem CID81143050
Molecular FormulaC13H10N2OS2
Molecular Weight274.37 g/mol
Exact Mass274.02
IUPAC Name1-(4-methyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)ethanone
SMILESCC(=O)c1sc(-c2cnc3ccsc3c2)nc1C
InChIInChI=1S/C13H10N2OS2/c1-7-12(8(2)16)18-13(15-7)9-5-11-10(14-6-9)3-4-17-11/h3-6H,1-2H3
InChIKeyPPBZLVRGCOIXCM-UHFFFAOYSA-N
XLogP3.93
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-acetyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-4-carboxylate
CID 106696532
2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-5-carboxylic acid
CID 81147844
2-thieno[3,2-b]pyridin-6-yl-1,3-thiazole-4-carboxylic acid
CID 81147215
1-[2-(4-bromo-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 66481650
4-(5-acetyl-4-methyl-1,3-thiazol-2-yl)benzaldehyde
CID 143281341
1-[2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 9173873
2-thieno[3,2-b]pyridin-6-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 81143321
1-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]ethanone
CID 61059598
N-[(2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 81143527
1-[2-(3-hydroxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 61288983
1-[2-(4-bromothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 47302510
1-[2-[(4-ethylphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 82121319

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(4-methyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)ethanone (CID 81143050) is 1-(4-methyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(4-methyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)ethanone is CC(=O)c1sc(-c2cnc3ccsc3c2)nc1C.
What is the InChIKey of 1-(4-methyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)ethanone?
The InChIKey is PPBZLVRGCOIXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS2/c1-7-12(8(2)16)18-13(15-7)9-5-11-10(14-6-9)3-4-17-11/h3-6H,1-2H3.
What are the key properties of 1-(4-methyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)ethanone?
1-(4-methyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)ethanone has a molecular weight of 274.37 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-thieno[3,2-b]pyridin-6-yl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 81143050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).