1-[5-[(Z)-but-2-en-2-yl]-4-methyl-1,3-thiazol-2-yl]ethanone

C10H13NOS — CID 126700093

IUPAC1-[5-[(Z)-but-2-en-2-yl]-4-methyl-1,3-thiazol-2-yl]ethanone
SMILESC/C=C(/C)c1sc(C(C)=O)nc1C
InChIInChI=1S/C10H13NOS/c1-5-6(2)9-7(3)11-10(13-9)8(4)12/h5H,1-4H3/b6-5-
InChIKeyJJNRPPYAYLNDEZ-WAYWQWQTSA-N
MW195.29 g/mol
LogP3.08
Rot. Bonds2

About 1-[5-[(Z)-but-2-en-2-yl]-4-methyl-1,3-thiazol-2-yl]ethanone

1-[5-[(Z)-but-2-en-2-yl]-4-methyl-1,3-thiazol-2-yl]ethanone (PubChem CID 126700093) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 1-[5-[(Z)-but-2-en-2-yl]-4-methyl-1,3-thiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(Z)-but-2-en-2-yl]-4-methyl-1,3-thiazol-2-yl]ethanone
PubChem CID126700093
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name1-[5-[(Z)-but-2-en-2-yl]-4-methyl-1,3-thiazol-2-yl]ethanone
SMILESC/C=C(/C)c1sc(C(C)=O)nc1C
InChIInChI=1S/C10H13NOS/c1-5-6(2)9-7(3)11-10(13-9)8(4)12/h5H,1-4H3/b6-5-
InChIKeyJJNRPPYAYLNDEZ-WAYWQWQTSA-N
XLogP3.08
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(E)-but-1-enyl]-2-(trifluoromethyl)-1,3-thiazol-4-yl]ethanone
CID 126498011
5-(5-Fluorocyclohepta-1,4,6-trien-1-yl)-2,4-dimethyl-1,3-thiazole
CID 142201053
5-(6-Fluorocyclohexa-1,5-dien-1-yl)-2,4-dimethyl-1,3-thiazole
CID 163878476
1-[5-(2-Fluoropropan-2-yl)-4-methyl-1,3-thiazol-2-yl]ethanone
CID 84776285
5-[(1E,3E,5Z)-1-fluorohepta-1,3,5-trien-4-yl]-2,4-dimethyl-1,3-thiazole
CID 142184116
5-(3-Fluorocyclohepta-1,3,6-trien-1-yl)-2,4-dimethyl-1,3-thiazole
CID 142201055
1-(5-Ethyl-4-methyl-1,3-thiazol-2-yl)ethanone
CID 53945681
2-pentyl-5H-1,3-benzothiazol-4-one
CID 70492419
2,4-Dimethyl-5-prop-1-en-2-yl-1,3-thiazole
CID 89050646
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-2,5-dimethyl-1,3-thiazole
CID 89217479
5-(1-Cyclopropylideneethyl)-2,4-dimethyl-1,3-thiazole
CID 89378696
5-Hepta-1,3,5-trien-3-yl-2-methyl-1,3-thiazole-4-carbaldehyde
CID 91500424

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(Z)-but-2-en-2-yl]-4-methyl-1,3-thiazol-2-yl]ethanone?
The IUPAC name of 1-[5-[(Z)-but-2-en-2-yl]-4-methyl-1,3-thiazol-2-yl]ethanone (CID 126700093) is 1-[5-[(Z)-but-2-en-2-yl]-4-methyl-1,3-thiazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-[(Z)-but-2-en-2-yl]-4-methyl-1,3-thiazol-2-yl]ethanone?
The canonical SMILES for 1-[5-[(Z)-but-2-en-2-yl]-4-methyl-1,3-thiazol-2-yl]ethanone is C/C=C(/C)c1sc(C(C)=O)nc1C.
What is the InChIKey of 1-[5-[(Z)-but-2-en-2-yl]-4-methyl-1,3-thiazol-2-yl]ethanone?
The InChIKey is JJNRPPYAYLNDEZ-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H13NOS/c1-5-6(2)9-7(3)11-10(13-9)8(4)12/h5H,1-4H3/b6-5-.
What are the key properties of 1-[5-[(Z)-but-2-en-2-yl]-4-methyl-1,3-thiazol-2-yl]ethanone?
1-[5-[(Z)-but-2-en-2-yl]-4-methyl-1,3-thiazol-2-yl]ethanone has a molecular weight of 195.29 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(Z)-but-2-en-2-yl]-4-methyl-1,3-thiazol-2-yl]ethanone is sourced from PubChem (CID 126700093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).