4-propan-2-yl-3-propyl-1,3-thiazolidin-2-one

C9H17NOS — CID 146162829

IUPAC4-propan-2-yl-3-propyl-1,3-thiazolidin-2-one
SMILESCCCN1C(=O)SCC1C(C)C
InChIInChI=1S/C9H17NOS/c1-4-5-10-8(7(2)3)6-12-9(10)11/h7-8H,4-6H2,1-3H3
InChIKeyBWCDBDWHLPKTKP-UHFFFAOYSA-N
MW187.31 g/mol
LogP2.59
Rot. Bonds3

About 4-propan-2-yl-3-propyl-1,3-thiazolidin-2-one

4-propan-2-yl-3-propyl-1,3-thiazolidin-2-one (PubChem CID 146162829) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 4-propan-2-yl-3-propyl-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name4-propan-2-yl-3-propyl-1,3-thiazolidin-2-one
PubChem CID146162829
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name4-propan-2-yl-3-propyl-1,3-thiazolidin-2-one
SMILESCCCN1C(=O)SCC1C(C)C
InChIInChI=1S/C9H17NOS/c1-4-5-10-8(7(2)3)6-12-9(10)11/h7-8H,4-6H2,1-3H3
InChIKeyBWCDBDWHLPKTKP-UHFFFAOYSA-N
XLogP2.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(R)-1-(4-isopropyl-2-thioxothiazolidin-3-yl)ethanone
CID 11745744
(S)-1-(4-isopropyl-2-thioxothiazolidin-3-yl)ethanone
CID 11745745
S-Propyl N,N-diisobutylthiocarbamate
CID 85831851
S-Butyl N,N-diisobutylthiocarbamate
CID 86139240
1-(4-(1-Methylethyl)-2-thioxo-3-thiazolidinyl)ethanone
CID 10774524
S-Butyl N-isobutyl-N-ethylthiocarbamate
CID 85785726
S-Propyl N-isobutyl-N-ethylthiocarbamate
CID 85785981
S-Butyl N-propyl-N-isopropylthiocarbamate
CID 91751420
4-Methyl-3-propan-2-yl-1,3-thiazolidin-2-one
CID 588886
5,5-Dimethyl-3-propan-2-yl-1,3-thiazolidin-2-one
CID 12401674
5,5-Dimethyl-2-propan-2-yl-1,3-thiazolidine-3-carbaldehyde
CID 9920581
2-Tert-butyl-4-methyl-1,3-thiazolidine-3-carbaldehyde
CID 20810678

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-3-propyl-1,3-thiazolidin-2-one?
The IUPAC name of 4-propan-2-yl-3-propyl-1,3-thiazolidin-2-one (CID 146162829) is 4-propan-2-yl-3-propyl-1,3-thiazolidin-2-one.
What is the SMILES notation for 4-propan-2-yl-3-propyl-1,3-thiazolidin-2-one?
The canonical SMILES for 4-propan-2-yl-3-propyl-1,3-thiazolidin-2-one is CCCN1C(=O)SCC1C(C)C.
What is the InChIKey of 4-propan-2-yl-3-propyl-1,3-thiazolidin-2-one?
The InChIKey is BWCDBDWHLPKTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c1-4-5-10-8(7(2)3)6-12-9(10)11/h7-8H,4-6H2,1-3H3.
What are the key properties of 4-propan-2-yl-3-propyl-1,3-thiazolidin-2-one?
4-propan-2-yl-3-propyl-1,3-thiazolidin-2-one has a molecular weight of 187.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-3-propyl-1,3-thiazolidin-2-one is sourced from PubChem (CID 146162829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).