3-[(E)-but-2-en-2-yl]-2,2-dimethyl-1,3-thiazolidine

C9H17NS — CID 86300729

IUPAC3-[(E)-but-2-en-2-yl]-2,2-dimethyl-1,3-thiazolidine
SMILESC/C=C(\C)N1CCSC1(C)C
InChIInChI=1S/C9H17NS/c1-5-8(2)10-6-7-11-9(10,3)4/h5H,6-7H2,1-4H3/b8-5+
InChIKeyGEJPVQUPSZXCIO-VMPITWQZSA-N
MW171.31 g/mol
LogP2.69
Rot. Bonds1

About 3-[(E)-but-2-en-2-yl]-2,2-dimethyl-1,3-thiazolidine

3-[(E)-but-2-en-2-yl]-2,2-dimethyl-1,3-thiazolidine (PubChem CID 86300729) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 3-[(E)-but-2-en-2-yl]-2,2-dimethyl-1,3-thiazolidine.

Molecular Properties

Compound Name3-[(E)-but-2-en-2-yl]-2,2-dimethyl-1,3-thiazolidine
PubChem CID86300729
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name3-[(E)-but-2-en-2-yl]-2,2-dimethyl-1,3-thiazolidine
SMILESC/C=C(\C)N1CCSC1(C)C
InChIInChI=1S/C9H17NS/c1-5-8(2)10-6-7-11-9(10,3)4/h5H,6-7H2,1-4H3/b8-5+
InChIKeyGEJPVQUPSZXCIO-VMPITWQZSA-N
XLogP2.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[(E)-but-2-en-2-yl]-2,2-dimethyl-1,3-thiazolidine with MolForge

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Related Compounds

1-(2,2-dimethyl-1,3-thiazolidin-3-yl)-2-methylprop-2-en-1-one
CID 14149482
[4-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)phenyl]-(2,2-dimethyl-1,3-thiazolidin-3-yl)methanone
CID 67892591
1-(2,2-diethyl-1,3-thiazolidin-3-yl)ethanone
CID 110192132
1-(1-thia-4,8-diazaspiro[4.5]decan-4-yl)ethanone
CID 169318473
1-chloro-3-(2,2-dimethyl-1,3-thiazolidin-3-yl)propan-2-one
CID 86300737
1-[4-(3-nitrobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 42773830
1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one
CID 169318639
2,2-dimethylthiomorpholine-4-carbaldehyde
CID 19848530
3-(2,2-dimethyl-1,3-thiazolidine-3-carbonyl)-8-methoxypyrimido[2,1-b][1,3]benzothiazol-4-one
CID 126469818
1-(7,7-dimethyl-1,4-thiazepan-4-yl)pentane-1,4-dione
CID 107454936
methyl 4-(2,2-dimethylthiomorpholin-4-yl)-2-methylbut-2-enoate
CID 103740109
1-[4-(2,2-dimethylpropanoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-2,2-dimethylpropan-1-one
CID 169318628

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-but-2-en-2-yl]-2,2-dimethyl-1,3-thiazolidine?
The IUPAC name of 3-[(E)-but-2-en-2-yl]-2,2-dimethyl-1,3-thiazolidine (CID 86300729) is 3-[(E)-but-2-en-2-yl]-2,2-dimethyl-1,3-thiazolidine.
What is the SMILES notation for 3-[(E)-but-2-en-2-yl]-2,2-dimethyl-1,3-thiazolidine?
The canonical SMILES for 3-[(E)-but-2-en-2-yl]-2,2-dimethyl-1,3-thiazolidine is C/C=C(\C)N1CCSC1(C)C.
What is the InChIKey of 3-[(E)-but-2-en-2-yl]-2,2-dimethyl-1,3-thiazolidine?
The InChIKey is GEJPVQUPSZXCIO-VMPITWQZSA-N. The full InChI is InChI=1S/C9H17NS/c1-5-8(2)10-6-7-11-9(10,3)4/h5H,6-7H2,1-4H3/b8-5+.
What are the key properties of 3-[(E)-but-2-en-2-yl]-2,2-dimethyl-1,3-thiazolidine?
3-[(E)-but-2-en-2-yl]-2,2-dimethyl-1,3-thiazolidine has a molecular weight of 171.31 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-2-en-2-yl]-2,2-dimethyl-1,3-thiazolidine is sourced from PubChem (CID 86300729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).