2,2-dimethyl-1-(1,3-thiazolidin-3-yl)propan-1-one

C8H15NOS — CID 70566640

IUPAC2,2-dimethyl-1-(1,3-thiazolidin-3-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCSC1
InChIInChI=1S/C8H15NOS/c1-8(2,3)7(10)9-4-5-11-6-9/h4-6H2,1-3H3
InChIKeyZECFSVPPYIXEOF-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.57
Rot. Bonds

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

2,2-dimethyl-1-(1,3-thiazolidin-3-yl)propan-1-one (PubChem CID 70566640) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1,3-thiazolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(1,3-thiazolidin-3-yl)propan-1-one
PubChem CID70566640
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name2,2-dimethyl-1-(1,3-thiazolidin-3-yl)propan-1-one
SMILESCC(C)(C)C(=O)N1CCSC1
InChIInChI=1S/C8H15NOS/c1-8(2,3)7(10)9-4-5-11-6-9/h4-6H2,1-3H3
InChIKeyZECFSVPPYIXEOF-UHFFFAOYSA-N
XLogP1.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Methylsulfanyl)-1-(pyrrolidin-1-yl)propan-1-one
CID 60635073
2,2-Dimethyl-1-(2-thioxothiazolidin-3-yl)propan-1-one
CID 11769595
4-(Methylsulfanyl)-1-(pyrrolidin-1-yl)butan-1-one
CID 84324723
3-(Methylsulfanyl)-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 131204503
2-Thiazolidinethione, 3-(1-oxopropyl)-
CID 11457987
3-Ethyl-5-methyl-rhodanine
CID 12220064
3-(2-Methylpropyl)-2,4-thiazolidinedione
CID 20110321
1-[2-(Ethylthio)ethyl]-2-pyrrolidinone
CID 20458704
2-Fluoro-2-methyl-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 126994641
2-Methylsulfanyl-1-pyrrolidin-1-ylethanone
CID 52140702
3-(2-Methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 12220058
3,3-Difluoro-2,2-dimethyl-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 130748512

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1,3-thiazolidin-3-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(1,3-thiazolidin-3-yl)propan-1-one (CID 70566640) is 2,2-dimethyl-1-(1,3-thiazolidin-3-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(1,3-thiazolidin-3-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(1,3-thiazolidin-3-yl)propan-1-one is CC(C)(C)C(=O)N1CCSC1.
What is the InChIKey of 2,2-dimethyl-1-(1,3-thiazolidin-3-yl)propan-1-one?
The InChIKey is ZECFSVPPYIXEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-8(2,3)7(10)9-4-5-11-6-9/h4-6H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(1,3-thiazolidin-3-yl)propan-1-one?
2,2-dimethyl-1-(1,3-thiazolidin-3-yl)propan-1-one has a molecular weight of 173.28 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1,3-thiazolidin-3-yl)propan-1-one is sourced from PubChem (CID 70566640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).