1-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]propan-1-one

C9H17NO2S — CID 20648621

IUPAC1-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]propan-1-one
SMILESCCC(=O)N1C(CO)CSC1(C)C
InChIInChI=1S/C9H17NO2S/c1-4-8(12)10-7(5-11)6-13-9(10,2)3/h7,11H,4-6H2,1-3H3
InChIKeyKTCWQAMJGGQJAX-UHFFFAOYSA-N
MW203.31 g/mol
LogP1.07
Rot. Bonds2

About 1-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]propan-1-one

1-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]propan-1-one (PubChem CID 20648621) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]propan-1-one
PubChem CID20648621
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name1-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]propan-1-one
SMILESCCC(=O)N1C(CO)CSC1(C)C
InChIInChI=1S/C9H17NO2S/c1-4-8(12)10-7(5-11)6-13-9(10,2)3/h7,11H,4-6H2,1-3H3
InChIKeyKTCWQAMJGGQJAX-UHFFFAOYSA-N
XLogP1.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]propan-1-one 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

Diacetylmethioninol
CID 129647021
1-[2-(Hydroxymethyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 20648598
1-[4-(Hydroxymethyl)-1,3-thiazolidin-3-yl]propan-1-one
CID 20648622
2,2-Dimethyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid
CID 20648671
1-[1-(2-Hydroxyethylsulfanyl)propyl]pyrrolidin-2-one
CID 60022161
N-(2-hydroxyethyl)-N-[3-(2-hydroxyethylsulfanyl)propyl]acetamide
CID 90224511
2-Tert-butyl-4-(hydroxymethyl)-1,3-thiazolidine-3-carboxylic acid
CID 118192998
(2R)-2-tert-butyl-4-(hydroxymethyl)-1,3-thiazolidine-3-carboxylic acid
CID 118193001
5-Hydroxy-1-propan-2-yl-3-propan-2-ylsulfanylpyrrolidin-2-one
CID 126671046
(4R)-2,2-dimethyl-3-propanoyl-1,3-thiazolidine-4-carboxylic acid
CID 131972825
3-Ethylsulfanyl-5-hydroxy-1-propan-2-ylpyrrolidin-2-one
CID 138461468
3-[(2S)-1-hydroxypropan-2-yl]-1,3-thiazolidin-2-one
CID 140984584

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]propan-1-one?
The IUPAC name of 1-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]propan-1-one (CID 20648621) is 1-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]propan-1-one.
What is the SMILES notation for 1-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]propan-1-one?
The canonical SMILES for 1-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]propan-1-one is CCC(=O)N1C(CO)CSC1(C)C.
What is the InChIKey of 1-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]propan-1-one?
The InChIKey is KTCWQAMJGGQJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-4-8(12)10-7(5-11)6-13-9(10,2)3/h7,11H,4-6H2,1-3H3.
What are the key properties of 1-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]propan-1-one?
1-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]propan-1-one has a molecular weight of 203.31 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)-2,2-dimethyl-1,3-thiazolidin-3-yl]propan-1-one is sourced from PubChem (CID 20648621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).