N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide

C9H13N3OS — CID 63005346

IUPACN-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1nccs1)C1CCNC1
InChIInChI=1S/C9H13N3OS/c13-9(7-1-2-10-5-7)12-6-8-11-3-4-14-8/h3-4,7,10H,1-2,5-6H2,(H,12,13)
InChIKeyNQNNNMGTUHTADK-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.37
Rot. Bonds3

About N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide

N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 63005346) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID63005346
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC NameN-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1nccs1)C1CCNC1
InChIInChI=1S/C9H13N3OS/c13-9(7-1-2-10-5-7)12-6-8-11-3-4-14-8/h3-4,7,10H,1-2,5-6H2,(H,12,13)
InChIKeyNQNNNMGTUHTADK-UHFFFAOYSA-N
XLogP0.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide (CID 63005346) is N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide is O=C(NCc1nccs1)C1CCNC1.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is NQNNNMGTUHTADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c13-9(7-1-2-10-5-7)12-6-8-11-3-4-14-8/h3-4,7,10H,1-2,5-6H2,(H,12,13).
What are the key properties of N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide?
N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 211.29 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63005346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).