1-(4-methoxy-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-one

C12H13NO2S2 — CID 118609248

IUPAC1-(4-methoxy-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-one
SMILESCCCC(=O)c1sc(-c2cccs2)nc1OC
InChIInChI=1S/C12H13NO2S2/c1-3-5-8(14)10-11(15-2)13-12(17-10)9-6-4-7-16-9/h4,6-7H,3,5H2,1-2H3
InChIKeyAMVLBGLAVBMTKZ-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.86
Rot. Bonds5

About 1-(4-methoxy-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-one

1-(4-methoxy-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-one (PubChem CID 118609248) has the molecular formula C12H13NO2S2 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-(4-methoxy-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-methoxy-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-one
PubChem CID118609248
Molecular FormulaC12H13NO2S2
Molecular Weight267.38 g/mol
Exact Mass267.04
IUPAC Name1-(4-methoxy-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-one
SMILESCCCC(=O)c1sc(-c2cccs2)nc1OC
InChIInChI=1S/C12H13NO2S2/c1-3-5-8(14)10-11(15-2)13-12(17-10)9-6-4-7-16-9/h4,6-7H,3,5H2,1-2H3
InChIKeyAMVLBGLAVBMTKZ-UHFFFAOYSA-N
XLogP3.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethyl-2-thiophen-2-yl-1,3-thiazol-5-yl)ethanone
CID 82430291
1-(3-methoxythiophen-2-yl)butan-1-one
CID 81118922
N,N-bis(4-methoxyphenyl)-4-(4-methoxy-2-thiophen-2-yl-1,3-thiazol-5-yl)aniline
CID 102288216
1-[4-methoxy-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]propan-1-one
CID 118609147
1-(3-thiophen-2-yl-1,2,4-triazin-5-yl)butan-1-one
CID 121219732
5-methoxy-4-methyl-2-thiophen-2-yl-1,3-thiazole
CID 116887500
ethane;2-(4-methoxyphenyl)-5-thiophen-2-yl-1,3,4-thiadiazole
CID 177007601
(5-methyl-2-thiophen-2-yl-1,3-thiazol-4-yl) benzoate
CID 1474014
4-ethyl-2-thiophen-2-yl-1,3-thiazole-5-carbothioamide
CID 82430275
N-(3-chloro-2-methoxyphenyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 86835066
[1-(ethylamino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate
CID 18199433
(2S)-2-[(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 107563777

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-one?
The IUPAC name of 1-(4-methoxy-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-one (CID 118609248) is 1-(4-methoxy-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-one.
What is the SMILES notation for 1-(4-methoxy-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-one?
The canonical SMILES for 1-(4-methoxy-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-one is CCCC(=O)c1sc(-c2cccs2)nc1OC.
What is the InChIKey of 1-(4-methoxy-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-one?
The InChIKey is AMVLBGLAVBMTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S2/c1-3-5-8(14)10-11(15-2)13-12(17-10)9-6-4-7-16-9/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 1-(4-methoxy-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-one?
1-(4-methoxy-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-one has a molecular weight of 267.38 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-thiophen-2-yl-1,3-thiazol-5-yl)butan-1-one is sourced from PubChem (CID 118609248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).