5-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-iodoethyl)pentanamide

C10H15IN2O3S — CID 139517059

IUPAC5-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-iodoethyl)pentanamide
SMILESO=C(CCCCN1C(=O)CSC1=O)NCCI
InChIInChI=1S/C10H15IN2O3S/c11-4-5-12-8(14)3-1-2-6-13-9(15)7-17-10(13)16/h1-7H2,(H,12,14)
InChIKeyLPNAJXOZRWIBFA-UHFFFAOYSA-N
MW370.21 g/mol
LogP1.40
Rot. Bonds7

About 5-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-iodoethyl)pentanamide

5-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-iodoethyl)pentanamide (PubChem CID 139517059) has the molecular formula C10H15IN2O3S and a molecular weight of 370.21 g/mol. Its IUPAC name is 5-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-iodoethyl)pentanamide.

Molecular Properties

Compound Name5-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-iodoethyl)pentanamide
PubChem CID139517059
Molecular FormulaC10H15IN2O3S
Molecular Weight370.21 g/mol
Exact Mass369.98
IUPAC Name5-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-iodoethyl)pentanamide
SMILESO=C(CCCCN1C(=O)CSC1=O)NCCI
InChIInChI=1S/C10H15IN2O3S/c11-4-5-12-8(14)3-1-2-6-13-9(15)7-17-10(13)16/h1-7H2,(H,12,14)
InChIKeyLPNAJXOZRWIBFA-UHFFFAOYSA-N
XLogP1.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]propanamide
CID 43470811
N'-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)propyl]-N-methylpropanediamide
CID 166506283
(2,3,4,5,6-pentafluorophenyl) 6-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-6-oxohexanoate
CID 139516995
2-bromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 63679671
methyl 4-(2,4-dioxo-1,3-thiazolidin-3-yl)butanoate
CID 43378323
3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanehydrazide
CID 63573915
2-cyano-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 22689011
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-nitroacetamide
CID 108814531
3-(9-bromononyl)-1,3-thiazolidine-2,4-dione
CID 105343066
3-(6-chlorohexyl)-1,3-thiazolidine-2,4-dione
CID 62228177
3-(3-chloropropyl)-1,3-thiazolidine-2,4-dione
CID 16790896
2-[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl]sulfanyl-N-ethylacetamide
CID 167261153

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-iodoethyl)pentanamide?
The IUPAC name of 5-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-iodoethyl)pentanamide (CID 139517059) is 5-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-iodoethyl)pentanamide.
What is the SMILES notation for 5-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-iodoethyl)pentanamide?
The canonical SMILES for 5-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-iodoethyl)pentanamide is O=C(CCCCN1C(=O)CSC1=O)NCCI.
What is the InChIKey of 5-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-iodoethyl)pentanamide?
The InChIKey is LPNAJXOZRWIBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O3S/c11-4-5-12-8(14)3-1-2-6-13-9(15)7-17-10(13)16/h1-7H2,(H,12,14).
What are the key properties of 5-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-iodoethyl)pentanamide?
5-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-iodoethyl)pentanamide has a molecular weight of 370.21 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-iodoethyl)pentanamide is sourced from PubChem (CID 139517059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).