N-(1-thiophen-2-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide

C14H17N3OS2 — CID 53167870

IUPACN-(1-thiophen-2-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide
SMILESCCC(NC(=O)c1cn2c(n1)CSCC2)c1cccs1
InChIInChI=1S/C14H17N3OS2/c1-2-10(12-4-3-6-20-12)16-14(18)11-8-17-5-7-19-9-13(17)15-11/h3-4,6,8,10H,2,5,7,9H2,1H3,(H,16,18)
InChIKeyABZYCKAWIYEHOD-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.07
Rot. Bonds4

About N-(1-thiophen-2-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide

N-(1-thiophen-2-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide (PubChem CID 53167870) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-(1-thiophen-2-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-thiophen-2-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide
PubChem CID53167870
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC NameN-(1-thiophen-2-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide
SMILESCCC(NC(=O)c1cn2c(n1)CSCC2)c1cccs1
InChIInChI=1S/C14H17N3OS2/c1-2-10(12-4-3-6-20-12)16-14(18)11-8-17-5-7-19-9-13(17)15-11/h3-4,6,8,10H,2,5,7,9H2,1H3,(H,16,18)
InChIKeyABZYCKAWIYEHOD-UHFFFAOYSA-N
XLogP3.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-thiophen-2-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-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-(1-thiophen-2-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide?
The IUPAC name of N-(1-thiophen-2-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide (CID 53167870) is N-(1-thiophen-2-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide.
What is the SMILES notation for N-(1-thiophen-2-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide?
The canonical SMILES for N-(1-thiophen-2-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide is CCC(NC(=O)c1cn2c(n1)CSCC2)c1cccs1.
What is the InChIKey of N-(1-thiophen-2-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide?
The InChIKey is ABZYCKAWIYEHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2/c1-2-10(12-4-3-6-20-12)16-14(18)11-8-17-5-7-19-9-13(17)15-11/h3-4,6,8,10H,2,5,7,9H2,1H3,(H,16,18).
What are the key properties of N-(1-thiophen-2-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide?
N-(1-thiophen-2-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylpropyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]thiazine-2-carboxamide is sourced from PubChem (CID 53167870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).