N-(3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide

C7H12N2O3S — CID 43500341

IUPACN-(3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)NCCCO)CS1
InChIInChI=1S/C7H12N2O3S/c10-3-1-2-8-6(11)5-4-13-7(12)9-5/h5,10H,1-4H2,(H,8,11)(H,9,12)
InChIKeyLEKCFCSRBHMWCZ-UHFFFAOYSA-N
MW204.25 g/mol
LogP-0.69
Rot. Bonds4

About N-(3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide

N-(3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 43500341) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID43500341
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC NameN-(3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESO=C1NC(C(=O)NCCCO)CS1
InChIInChI=1S/C7H12N2O3S/c10-3-1-2-8-6(11)5-4-13-7(12)9-5/h5,10H,1-4H2,(H,8,11)(H,9,12)
InChIKeyLEKCFCSRBHMWCZ-UHFFFAOYSA-N
XLogP-0.69
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]amino]propyl nitrate
CID 44285609
2-amino-N-(3-hydroxypropyl)-3-(methylsulfanyl)propanamide hydrochloride
CID 154577109
N-(2-aminoethyl)-1,3-thiazolidine-4-carboxamide
CID 61275102
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 60952485
2-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazolidine-4-carboxamide
CID 103755811
N-(3,3-difluoro-2-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 103770387
N-(3,3,3-trifluoro-2-hydroxypropyl)-1,3-thiazolidine-4-carboxamide
CID 103795762
N-(3,3-difluoro-2-hydroxypropyl)-1,3-thiazolidine-4-carboxamide
CID 103796480
N-(2-hydroxyethyl)-2-oxo-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 103915375
N-(2,2-difluoro-3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 104862822
N-(2,2-difluoro-3-hydroxypropyl)-1,3-thiazolidine-4-carboxamide
CID 106176931
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1,3-thiazolidine-4-carboxamide
CID 107479321

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide (CID 43500341) is N-(3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide is O=C1NC(C(=O)NCCCO)CS1.
What is the InChIKey of N-(3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is LEKCFCSRBHMWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S/c10-3-1-2-8-6(11)5-4-13-7(12)9-5/h5,10H,1-4H2,(H,8,11)(H,9,12).
What are the key properties of N-(3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
N-(3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 204.25 g/mol, XLogP of -0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 43500341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).