but-1-ene;3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine

C12H23NS — CID 143574322

IUPACbut-1-ene;3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine
SMILESC=C(C(C)C)N1CCSC1.C=CCC
InChIInChI=1S/C8H15NS.C4H8/c1-7(2)8(3)9-4-5-10-6-9;1-3-4-2/h7H,3-6H2,1-2H3;3H,1,4H2,2H3
InChIKeyULOVRAACGHVELO-UHFFFAOYSA-N
MW213.39 g/mol
LogP3.74
Rot. Bonds3

About but-1-ene;3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine

but-1-ene;3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine (PubChem CID 143574322) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is but-1-ene;3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine.

Molecular Properties

Compound Namebut-1-ene;3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine
PubChem CID143574322
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC Namebut-1-ene;3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine
SMILESC=C(C(C)C)N1CCSC1.C=CCC
InChIInChI=1S/C8H15NS.C4H8/c1-7(2)8(3)9-4-5-10-6-9;1-3-4-2/h7H,3-6H2,1-2H3;3H,1,4H2,2H3
InChIKeyULOVRAACGHVELO-UHFFFAOYSA-N
XLogP3.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze but-1-ene;3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-((E)-3-methylthiobut-1-enyl)pyrrolidine
CID 44185543
1-[(Z)-3-methylsulfanylbut-1-enyl]pyrrolidine
CID 57554373
1-(3-Methylthiobut-1-enyl)pyrrolidine
CID 74944121
1-[(E)-3-methanidylsulfanylbut-1-enyl]pyrrolidine
CID 91078841
3,4-di(propan-2-yl)-2H-1,3-thiazole
CID 121260868
4-tert-butyl-2-methylidene-3-[(Z)-prop-1-enyl]-1,3-thiazole
CID 137412251
Ethene;5-ethenyl-3-methyl-4-prop-1-enylidene-1,3-thiazolidine
CID 141790158
3-methyl-1-[1-[(Z)-prop-1-enyl]sulfanylethenyl]pyrrolidine
CID 143498347
2-Ethyl-5,5-dimethyl-3-prop-1-en-2-yl-1,3-thiazolidine
CID 167116826
5-Ethenyl-3-methyl-4-prop-1-enylidene-1,3-thiazolidine
CID 141790159
3-(3-Methylbut-1-en-2-yl)-1,3-thiazolidine
CID 143574323
3-Methyl-1-(3-methylsulfanylprop-1-en-2-yl)pyrrolidine
CID 143862215

Frequently Asked Questions

What is the IUPAC name of but-1-ene;3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine?
The IUPAC name of but-1-ene;3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine (CID 143574322) is but-1-ene;3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine.
What is the SMILES notation for but-1-ene;3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine?
The canonical SMILES for but-1-ene;3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine is C=C(C(C)C)N1CCSC1.C=CCC.
What is the InChIKey of but-1-ene;3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine?
The InChIKey is ULOVRAACGHVELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS.C4H8/c1-7(2)8(3)9-4-5-10-6-9;1-3-4-2/h7H,3-6H2,1-2H3;3H,1,4H2,2H3.
What are the key properties of but-1-ene;3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine?
but-1-ene;3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine has a molecular weight of 213.39 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine is sourced from PubChem (CID 143574322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).