1-(2,2-dimethyl-1,3-thiazolidin-3-yl)-2-methylprop-2-en-1-one

C9H15NOS — CID 14149482

IUPAC1-(2,2-dimethyl-1,3-thiazolidin-3-yl)-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)N1CCSC1(C)C
InChIInChI=1S/C9H15NOS/c1-7(2)8(11)10-5-6-12-9(10,3)4/h1,5-6H2,2-4H3
InChIKeyPNFSNJVWSRTPIE-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.87
Rot. Bonds1

About 1-(2,2-dimethyl-1,3-thiazolidin-3-yl)-2-methylprop-2-en-1-one

1-(2,2-dimethyl-1,3-thiazolidin-3-yl)-2-methylprop-2-en-1-one (PubChem CID 14149482) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1,3-thiazolidin-3-yl)-2-methylprop-2-en-1-one.

Molecular Properties

Compound Name1-(2,2-dimethyl-1,3-thiazolidin-3-yl)-2-methylprop-2-en-1-one
PubChem CID14149482
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name1-(2,2-dimethyl-1,3-thiazolidin-3-yl)-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)N1CCSC1(C)C
InChIInChI=1S/C9H15NOS/c1-7(2)8(11)10-5-6-12-9(10,3)4/h1,5-6H2,2-4H3
InChIKeyPNFSNJVWSRTPIE-UHFFFAOYSA-N
XLogP1.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-but-2-en-2-yl]-2,2-dimethyl-1,3-thiazolidine
CID 86300729
[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-(4-acetylpiperazin-1-yl)-2-methylprop-2-en-1-one
CID 130117794
1-(azepan-1-yl)-2-methylprop-2-en-1-one
CID 22146478
1-[2,3-bis(2-methylprop-2-enoyl)triazinan-1-yl]-2-methylprop-2-en-1-one
CID 19887674
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
2-methyl-1-[10-(2-methylprop-2-enoyl)-1,8,9,10-tetrazabicyclo[6.1.1]decan-9-yl]prop-2-en-1-one
CID 139706968
4-(2-methylprop-2-enoyl)piperazine-1-carbonyl chloride
CID 19349359
1-(4-acetyl-1-thia-4,8-diazaspiro[4.5]decan-8-yl)-2,2-dimethylpropan-1-one
CID 169318639
4-(2-chloroprop-2-enyl)-2,2-dimethylthiomorpholine
CID 130739907

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1,3-thiazolidin-3-yl)-2-methylprop-2-en-1-one?
The IUPAC name of 1-(2,2-dimethyl-1,3-thiazolidin-3-yl)-2-methylprop-2-en-1-one (CID 14149482) is 1-(2,2-dimethyl-1,3-thiazolidin-3-yl)-2-methylprop-2-en-1-one.
What is the SMILES notation for 1-(2,2-dimethyl-1,3-thiazolidin-3-yl)-2-methylprop-2-en-1-one?
The canonical SMILES for 1-(2,2-dimethyl-1,3-thiazolidin-3-yl)-2-methylprop-2-en-1-one is C=C(C)C(=O)N1CCSC1(C)C.
What is the InChIKey of 1-(2,2-dimethyl-1,3-thiazolidin-3-yl)-2-methylprop-2-en-1-one?
The InChIKey is PNFSNJVWSRTPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-7(2)8(11)10-5-6-12-9(10,3)4/h1,5-6H2,2-4H3.
What are the key properties of 1-(2,2-dimethyl-1,3-thiazolidin-3-yl)-2-methylprop-2-en-1-one?
1-(2,2-dimethyl-1,3-thiazolidin-3-yl)-2-methylprop-2-en-1-one has a molecular weight of 185.29 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1,3-thiazolidin-3-yl)-2-methylprop-2-en-1-one is sourced from PubChem (CID 14149482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).