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

C7H14N2O2S — CID 122522048

IUPACN-(3-hydroxypropyl)-1,3-thiazolidine-2-carboxamide
SMILESO=C(NCCCO)C1NCCS1
InChIInChI=1S/C7H14N2O2S/c10-4-1-2-8-6(11)7-9-3-5-12-7/h7,9-10H,1-5H2,(H,8,11)
InChIKeyLZVJEVNFTYKPEM-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.85
Rot. Bonds4

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

N-(3-hydroxypropyl)-1,3-thiazolidine-2-carboxamide (PubChem CID 122522048) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-1,3-thiazolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-1,3-thiazolidine-2-carboxamide
PubChem CID122522048
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC NameN-(3-hydroxypropyl)-1,3-thiazolidine-2-carboxamide
SMILESO=C(NCCCO)C1NCCS1
InChIInChI=1S/C7H14N2O2S/c10-4-1-2-8-6(11)7-9-3-5-12-7/h7,9-10H,1-5H2,(H,8,11)
InChIKeyLZVJEVNFTYKPEM-UHFFFAOYSA-N
XLogP-0.85
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-1,3-thiazolidine-2-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-1,3-thiazolidine-2-carboxamide (CID 122522048) is N-(3-hydroxypropyl)-1,3-thiazolidine-2-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-1,3-thiazolidine-2-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-1,3-thiazolidine-2-carboxamide is O=C(NCCCO)C1NCCS1.
What is the InChIKey of N-(3-hydroxypropyl)-1,3-thiazolidine-2-carboxamide?
The InChIKey is LZVJEVNFTYKPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c10-4-1-2-8-6(11)7-9-3-5-12-7/h7,9-10H,1-5H2,(H,8,11).
What are the key properties of N-(3-hydroxypropyl)-1,3-thiazolidine-2-carboxamide?
N-(3-hydroxypropyl)-1,3-thiazolidine-2-carboxamide has a molecular weight of 190.27 g/mol, XLogP of -0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-1,3-thiazolidine-2-carboxamide is sourced from PubChem (CID 122522048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).