2H-1,4-thiazine-3-carboxamide

C5H6N2OS — CID 54344648

IUPAC2H-1,4-thiazine-3-carboxamide
SMILESNC(=O)C1=NC=CSC1
InChIInChI=1S/C5H6N2OS/c6-5(8)4-3-9-2-1-7-4/h1-2H,3H2,(H2,6,8)
InChIKeyUBLBKWNLRMWJJZ-UHFFFAOYSA-N
MW142.18 g/mol
LogP0.13
Rot. Bonds1

About 2H-1,4-thiazine-3-carboxamide

2H-1,4-thiazine-3-carboxamide (PubChem CID 54344648) has the molecular formula C5H6N2OS and a molecular weight of 142.18 g/mol. Its IUPAC name is 2H-1,4-thiazine-3-carboxamide.

Molecular Properties

Compound Name2H-1,4-thiazine-3-carboxamide
PubChem CID54344648
Molecular FormulaC5H6N2OS
Molecular Weight142.18 g/mol
Exact Mass142.02
IUPAC Name2H-1,4-thiazine-3-carboxamide
SMILESNC(=O)C1=NC=CSC1
InChIInChI=1S/C5H6N2OS/c6-5(8)4-3-9-2-1-7-4/h1-2H,3H2,(H2,6,8)
InChIKeyUBLBKWNLRMWJJZ-UHFFFAOYSA-N
XLogP0.13
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2H-1,4-thiazine-3-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 2H-1,4-thiazine-3-carboxamide?
The IUPAC name of 2H-1,4-thiazine-3-carboxamide (CID 54344648) is 2H-1,4-thiazine-3-carboxamide.
What is the SMILES notation for 2H-1,4-thiazine-3-carboxamide?
The canonical SMILES for 2H-1,4-thiazine-3-carboxamide is NC(=O)C1=NC=CSC1.
What is the InChIKey of 2H-1,4-thiazine-3-carboxamide?
The InChIKey is UBLBKWNLRMWJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS/c6-5(8)4-3-9-2-1-7-4/h1-2H,3H2,(H2,6,8).
What are the key properties of 2H-1,4-thiazine-3-carboxamide?
2H-1,4-thiazine-3-carboxamide has a molecular weight of 142.18 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-1,4-thiazine-3-carboxamide is sourced from PubChem (CID 54344648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).