N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide

C9H12N2O2S — CID 63037381

IUPACN-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCOC1)c1cscn1
InChIInChI=1S/C9H12N2O2S/c12-9(8-5-14-6-11-8)10-3-7-1-2-13-4-7/h5-7H,1-4H2,(H,10,12)
InChIKeyAHJJMZURFCTGJS-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.91
Rot. Bonds3

About N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide

N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 63037381) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID63037381
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC NameN-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCOC1)c1cscn1
InChIInChI=1S/C9H12N2O2S/c12-9(8-5-14-6-11-8)10-3-7-1-2-13-4-7/h5-7H,1-4H2,(H,10,12)
InChIKeyAHJJMZURFCTGJS-UHFFFAOYSA-N
XLogP0.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide (CID 63037381) is N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide is O=C(NCC1CCOC1)c1cscn1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is AHJJMZURFCTGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c12-9(8-5-14-6-11-8)10-3-7-1-2-13-4-7/h5-7H,1-4H2,(H,10,12).
What are the key properties of N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide?
N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 212.27 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63037381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).