N-(3-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

C8H14N2O3S — CID 43417735

IUPACN-(3-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)NCCCO
InChIInChI=1S/C8H14N2O3S/c11-3-1-2-9-7(12)4-10-6-14-5-8(10)13/h11H,1-6H2,(H,9,12)
InChIKeySZXDDHCKJSRXNB-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.98
Rot. Bonds5

About N-(3-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide

N-(3-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (PubChem CID 43417735) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
PubChem CID43417735
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC NameN-(3-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1CSCC1=O)NCCCO
InChIInChI=1S/C8H14N2O3S/c11-3-1-2-9-7(12)4-10-6-14-5-8(10)13/h11H,1-6H2,(H,9,12)
InChIKeySZXDDHCKJSRXNB-UHFFFAOYSA-N
XLogP-0.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 104858043
N-(4-hydroxybutyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 18961028
(4R)-N-(4-Hydroxybutyl)-2-oxothiazolidine-4-carboxamide
CID 54320074
[(2R,4S)-4-hydroxy-1,3-thiazolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 118235026
(4-Hydroxy-1,3-thiazolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 118235028
[(2S,4R)-4-hydroxy-1,3-thiazolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 118235030
5-[3-Methoxypropyl(methyl)amino]-1,3-thiazolidine-2,4-dione
CID 118244865
N-(3-hydroxypropyl)-1,3-thiazolidine-2-carboxamide
CID 122522048
(7R)-2-(3-hydroxypropanoyl)-5-thia-2,8-diazaspiro[3.4]octane-7-carboxamide
CID 169645203
N-(2-hydroxyethyl)-2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
CID 17033524
2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-hydroxyethyl)acetamide
CID 27409955
2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-hydroxypropyl)acetamide
CID 27409956

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of N-(3-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide (CID 43417735) is N-(3-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is O=C(CN1CSCC1=O)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is SZXDDHCKJSRXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c11-3-1-2-9-7(12)4-10-6-14-5-8(10)13/h11H,1-6H2,(H,9,12).
What are the key properties of N-(3-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide?
N-(3-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 218.28 g/mol, XLogP of -0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 43417735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).