3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine

C8H15NS — CID 143574323

IUPAC3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine
SMILESC=C(C(C)C)N1CCSC1
InChIInChI=1S/C8H15NS/c1-7(2)8(3)9-4-5-10-6-9/h7H,3-6H2,1-2H3
InChIKeyWLXYXUUGUOKDDG-UHFFFAOYSA-N
MW157.28 g/mol
LogP2.16
Rot. Bonds2

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

3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine (PubChem CID 143574323) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine.

Molecular Properties

Compound Name3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine
PubChem CID143574323
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine
SMILESC=C(C(C)C)N1CCSC1
InChIInChI=1S/C8H15NS/c1-7(2)8(3)9-4-5-10-6-9/h7H,3-6H2,1-2H3
InChIKeyWLXYXUUGUOKDDG-UHFFFAOYSA-N
XLogP2.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-di(propan-2-yl)-2H-1,3-thiazole
CID 121260868
2-Methylidene-1-(1-methylsulfanylethenyl)pyrrolidine
CID 123480432
But-1-ene;3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine
CID 143574322
3,4-dimethyl-2-propan-2-yl-2H-1,3-thiazole
CID 154535860
2-Ethyl-5,5-dimethyl-3-prop-1-en-2-yl-1,3-thiazolidine
CID 167116826
4-propan-2-yl-3-prop-1-en-2-yl-2H-1,3-thiazole
CID 167199865
1-(5-Methyl-4,5-dihydrothiophen-3-yl)pyrrolidine
CID 12413705
3-Methyl-1-(3-methylsulfanylprop-1-en-2-yl)pyrrolidine
CID 143862215
3-Ethyl-2-methylidene-4-prop-1-en-2-yl-1,3-thiazolidine
CID 144519487

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine?
The IUPAC name of 3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine (CID 143574323) is 3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine.
What is the SMILES notation for 3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine?
The canonical SMILES for 3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine is C=C(C(C)C)N1CCSC1.
What is the InChIKey of 3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine?
The InChIKey is WLXYXUUGUOKDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NS/c1-7(2)8(3)9-4-5-10-6-9/h7H,3-6H2,1-2H3.
What are the key properties of 3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine?
3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine has a molecular weight of 157.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbut-1-en-2-yl)-1,3-thiazolidine is sourced from PubChem (CID 143574323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).