1-[3-[3-(methylamino)but-1-en-2-yl]-1,3-thiazolidin-4-yl]ethanone

C10H18N2OS — CID 58849875

IUPAC1-[3-[3-(methylamino)but-1-en-2-yl]-1,3-thiazolidin-4-yl]ethanone
SMILESC=C(C(C)NC)N1CSCC1C(C)=O
InChIInChI=1S/C10H18N2OS/c1-7(11-4)8(2)12-6-14-5-10(12)9(3)13/h7,10-11H,2,5-6H2,1,3-4H3
InChIKeyUVCGBTVHQVWQEU-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.07
Rot. Bonds4

About 1-[3-[3-(methylamino)but-1-en-2-yl]-1,3-thiazolidin-4-yl]ethanone

1-[3-[3-(methylamino)but-1-en-2-yl]-1,3-thiazolidin-4-yl]ethanone (PubChem CID 58849875) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-[3-[3-(methylamino)but-1-en-2-yl]-1,3-thiazolidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[3-[3-(methylamino)but-1-en-2-yl]-1,3-thiazolidin-4-yl]ethanone
PubChem CID58849875
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name1-[3-[3-(methylamino)but-1-en-2-yl]-1,3-thiazolidin-4-yl]ethanone
SMILESC=C(C(C)NC)N1CSCC1C(C)=O
InChIInChI=1S/C10H18N2OS/c1-7(11-4)8(2)12-6-14-5-10(12)9(3)13/h7,10-11H,2,5-6H2,1,3-4H3
InChIKeyUVCGBTVHQVWQEU-UHFFFAOYSA-N
XLogP1.07
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(methylamino)but-1-en-2-yl]-1,3-thiazolidin-4-yl]ethanone?
The IUPAC name of 1-[3-[3-(methylamino)but-1-en-2-yl]-1,3-thiazolidin-4-yl]ethanone (CID 58849875) is 1-[3-[3-(methylamino)but-1-en-2-yl]-1,3-thiazolidin-4-yl]ethanone.
What is the SMILES notation for 1-[3-[3-(methylamino)but-1-en-2-yl]-1,3-thiazolidin-4-yl]ethanone?
The canonical SMILES for 1-[3-[3-(methylamino)but-1-en-2-yl]-1,3-thiazolidin-4-yl]ethanone is C=C(C(C)NC)N1CSCC1C(C)=O.
What is the InChIKey of 1-[3-[3-(methylamino)but-1-en-2-yl]-1,3-thiazolidin-4-yl]ethanone?
The InChIKey is UVCGBTVHQVWQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-7(11-4)8(2)12-6-14-5-10(12)9(3)13/h7,10-11H,2,5-6H2,1,3-4H3.
What are the key properties of 1-[3-[3-(methylamino)but-1-en-2-yl]-1,3-thiazolidin-4-yl]ethanone?
1-[3-[3-(methylamino)but-1-en-2-yl]-1,3-thiazolidin-4-yl]ethanone has a molecular weight of 214.33 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(methylamino)but-1-en-2-yl]-1,3-thiazolidin-4-yl]ethanone is sourced from PubChem (CID 58849875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).