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

C7H13N3O2S — CID 62268438

IUPACN-(3-aminopropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESNCCCNC(=O)C1CSC(=O)N1
InChIInChI=1S/C7H13N3O2S/c8-2-1-3-9-6(11)5-4-13-7(12)10-5/h5H,1-4,8H2,(H,9,11)(H,10,12)
InChIKeyJXBWOHZXJWHFLI-UHFFFAOYSA-N
MW203.27 g/mol
LogP-0.72
Rot. Bonds4

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

N-(3-aminopropyl)-2-oxo-1,3-thiazolidine-4-carboxamide (PubChem CID 62268438) has the molecular formula C7H13N3O2S and a molecular weight of 203.27 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-oxo-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
PubChem CID62268438
Molecular FormulaC7H13N3O2S
Molecular Weight203.27 g/mol
Exact Mass203.07
IUPAC NameN-(3-aminopropyl)-2-oxo-1,3-thiazolidine-4-carboxamide
SMILESNCCCNC(=O)C1CSC(=O)N1
InChIInChI=1S/C7H13N3O2S/c8-2-1-3-9-6(11)5-4-13-7(12)10-5/h5H,1-4,8H2,(H,9,11)(H,10,12)
InChIKeyJXBWOHZXJWHFLI-UHFFFAOYSA-N
XLogP-0.72
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 5-0.72
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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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(3-aminopropyl)-2-oxo-1,3-thiazolidine-4-carboxamide (CID 62268438) is N-(3-aminopropyl)-2-oxo-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-2-oxo-1,3-thiazolidine-4-carboxamide is NCCCNC(=O)C1CSC(=O)N1.
What is the InChIKey of N-(3-aminopropyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
The InChIKey is JXBWOHZXJWHFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2S/c8-2-1-3-9-6(11)5-4-13-7(12)10-5/h5H,1-4,8H2,(H,9,11)(H,10,12).
What are the key properties of N-(3-aminopropyl)-2-oxo-1,3-thiazolidine-4-carboxamide?
N-(3-aminopropyl)-2-oxo-1,3-thiazolidine-4-carboxamide has a molecular weight of 203.27 g/mol, XLogP of -0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-oxo-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 62268438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).