5-oxo-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide

C9H11N3O2S — CID 49344350

IUPAC5-oxo-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NCc2cscn2)CN1
InChIInChI=1S/C9H11N3O2S/c13-8-1-6(2-10-8)9(14)11-3-7-4-15-5-12-7/h4-6H,1-3H2,(H,10,13)(H,11,14)
InChIKeyBOIHCOBBHJHBSS-UHFFFAOYSA-N
MW225.27 g/mol
LogP-0.10
Rot. Bonds3

About 5-oxo-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide

5-oxo-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 49344350) has the molecular formula C9H11N3O2S and a molecular weight of 225.27 g/mol. Its IUPAC name is 5-oxo-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID49344350
Molecular FormulaC9H11N3O2S
Molecular Weight225.27 g/mol
Exact Mass225.06
IUPAC Name5-oxo-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)NCc2cscn2)CN1
InChIInChI=1S/C9H11N3O2S/c13-8-1-6(2-10-8)9(14)11-3-7-4-15-5-12-7/h4-6H,1-3H2,(H,10,13)(H,11,14)
InChIKeyBOIHCOBBHJHBSS-UHFFFAOYSA-N
XLogP-0.10
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide (CID 49344350) is 5-oxo-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide is O=C1CC(C(=O)NCc2cscn2)CN1.
What is the InChIKey of 5-oxo-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is BOIHCOBBHJHBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2S/c13-8-1-6(2-10-8)9(14)11-3-7-4-15-5-12-7/h4-6H,1-3H2,(H,10,13)(H,11,14).
What are the key properties of 5-oxo-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide?
5-oxo-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 225.27 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 49344350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).