N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C16H19N3O2S2 — CID 70787605

IUPACN-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(N[C@H]1COC[C@@H]1N1CCCC1)c1csc(-c2cccs2)n1
InChIInChI=1S/C16H19N3O2S2/c20-15(12-10-23-16(18-12)14-4-3-7-22-14)17-11-8-21-9-13(11)19-5-1-2-6-19/h3-4,7,10-11,13H,1-2,5-6,8-9H2,(H,17,20)/t11-,13-/m0/s1
InChIKeyBEJABZQSLLCSTI-AAEUAGOBSA-N
MW349.48 g/mol
LogP2.46
Rot. Bonds4

About N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 70787605) has the molecular formula C16H19N3O2S2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID70787605
Molecular FormulaC16H19N3O2S2
Molecular Weight349.48 g/mol
Exact Mass349.09
IUPAC NameN-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(N[C@H]1COC[C@@H]1N1CCCC1)c1csc(-c2cccs2)n1
InChIInChI=1S/C16H19N3O2S2/c20-15(12-10-23-16(18-12)14-4-3-7-22-14)17-11-8-21-9-13(11)19-5-1-2-6-19/h3-4,7,10-11,13H,1-2,5-6,8-9H2,(H,17,20)/t11-,13-/m0/s1
InChIKeyBEJABZQSLLCSTI-AAEUAGOBSA-N
XLogP2.46
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-yl-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-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 70787605) is N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is O=C(N[C@H]1COC[C@@H]1N1CCCC1)c1csc(-c2cccs2)n1.
What is the InChIKey of N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is BEJABZQSLLCSTI-AAEUAGOBSA-N. The full InChI is InChI=1S/C16H19N3O2S2/c20-15(12-10-23-16(18-12)14-4-3-7-22-14)17-11-8-21-9-13(11)19-5-1-2-6-19/h3-4,7,10-11,13H,1-2,5-6,8-9H2,(H,17,20)/t11-,13-/m0/s1.
What are the key properties of N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70787605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).