2-sulfanylidene-3-tetradecanoyl-1,3-thiazolidin-4-one

C17H29NO2S2 — CID 71421181

IUPAC2-sulfanylidene-3-tetradecanoyl-1,3-thiazolidin-4-one
SMILESCCCCCCCCCCCCCC(=O)N1C(=O)CSC1=S
InChIInChI=1S/C17H29NO2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(19)18-16(20)14-22-17(18)21/h2-14H2,1H3
InChIKeyCDASZEZYQUJTLG-UHFFFAOYSA-N
MW343.56 g/mol
LogP5.07
Rot. Bonds12

About 2-sulfanylidene-3-tetradecanoyl-1,3-thiazolidin-4-one

2-sulfanylidene-3-tetradecanoyl-1,3-thiazolidin-4-one (PubChem CID 71421181) has the molecular formula C17H29NO2S2 and a molecular weight of 343.56 g/mol. Its IUPAC name is 2-sulfanylidene-3-tetradecanoyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-sulfanylidene-3-tetradecanoyl-1,3-thiazolidin-4-one
PubChem CID71421181
Molecular FormulaC17H29NO2S2
Molecular Weight343.56 g/mol
Exact Mass343.16
IUPAC Name2-sulfanylidene-3-tetradecanoyl-1,3-thiazolidin-4-one
SMILESCCCCCCCCCCCCCC(=O)N1C(=O)CSC1=S
InChIInChI=1S/C17H29NO2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(19)18-16(20)14-22-17(18)21/h2-14H2,1H3
InChIKeyCDASZEZYQUJTLG-UHFFFAOYSA-N
XLogP5.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.56
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-docosanoylpyrrolidine-2,5-dione
CID 149150583
3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 13321106
1-decanoylpyrrolidin-2-one
CID 11021000
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
3-(2-tert-butyl-2,4,4-trimethylpentanoyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 163433574
2-[(2E)-2-(3-octyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-4-oxo-1,3-thiazolidin-3-yl]acetic acid
CID 58321487
1-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)octan-1-one
CID 57280249
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
1-thiomorpholin-4-ylhexadecan-1-one
CID 54266223
1,8-bis(2-sulfanylidene-1,3-thiazolidin-3-yl)octane-1,8-dione
CID 15499833
butyl 4-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzoate
CID 122707194
1-(3-acetyl-2-sulfanylidenebenzimidazol-1-yl)hexan-1-one
CID 54769395

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylidene-3-tetradecanoyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-sulfanylidene-3-tetradecanoyl-1,3-thiazolidin-4-one (CID 71421181) is 2-sulfanylidene-3-tetradecanoyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-sulfanylidene-3-tetradecanoyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-sulfanylidene-3-tetradecanoyl-1,3-thiazolidin-4-one is CCCCCCCCCCCCCC(=O)N1C(=O)CSC1=S.
What is the InChIKey of 2-sulfanylidene-3-tetradecanoyl-1,3-thiazolidin-4-one?
The InChIKey is CDASZEZYQUJTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(19)18-16(20)14-22-17(18)21/h2-14H2,1H3.
What are the key properties of 2-sulfanylidene-3-tetradecanoyl-1,3-thiazolidin-4-one?
2-sulfanylidene-3-tetradecanoyl-1,3-thiazolidin-4-one has a molecular weight of 343.56 g/mol, XLogP of 5.07, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidene-3-tetradecanoyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 71421181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).