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

C10H15N3OS — CID 63005356

IUPACN-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1cscn1)C(=O)C1CCNC1
InChIInChI=1S/C10H15N3OS/c1-13(5-9-6-15-7-12-9)10(14)8-2-3-11-4-8/h6-8,11H,2-5H2,1H3
InChIKeyREMOXKGBCPFZNF-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.71
Rot. Bonds3

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

N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 63005356) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID63005356
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC NameN-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESCN(Cc1cscn1)C(=O)C1CCNC1
InChIInChI=1S/C10H15N3OS/c1-13(5-9-6-15-7-12-9)10(14)8-2-3-11-4-8/h6-8,11H,2-5H2,1H3
InChIKeyREMOXKGBCPFZNF-UHFFFAOYSA-N
XLogP0.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide (CID 63005356) is N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide is CN(Cc1cscn1)C(=O)C1CCNC1.
What is the InChIKey of N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is REMOXKGBCPFZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-13(5-9-6-15-7-12-9)10(14)8-2-3-11-4-8/h6-8,11H,2-5H2,1H3.
What are the key properties of N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide?
N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 225.32 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63005356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).