3,4-dihydro-2H-1,4-thiazine-5-carboxamide

C5H8N2OS — CID 90327894

IUPAC3,4-dihydro-2H-1,4-thiazine-5-carboxamide
SMILESNC(=O)C1=CSCCN1
InChIInChI=1S/C5H8N2OS/c6-5(8)4-3-9-2-1-7-4/h3,7H,1-2H2,(H2,6,8)
InChIKeyUCUNHOQIJADURS-UHFFFAOYSA-N
MW144.20 g/mol
LogP-0.35
Rot. Bonds1

About 3,4-dihydro-2H-1,4-thiazine-5-carboxamide

3,4-dihydro-2H-1,4-thiazine-5-carboxamide (PubChem CID 90327894) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,4-thiazine-5-carboxamide.

Molecular Properties

Compound Name3,4-dihydro-2H-1,4-thiazine-5-carboxamide
PubChem CID90327894
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name3,4-dihydro-2H-1,4-thiazine-5-carboxamide
SMILESNC(=O)C1=CSCCN1
InChIInChI=1S/C5H8N2OS/c6-5(8)4-3-9-2-1-7-4/h3,7H,1-2H2,(H2,6,8)
InChIKeyUCUNHOQIJADURS-UHFFFAOYSA-N
XLogP-0.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,4-thiazine-5-carboxamide?
The IUPAC name of 3,4-dihydro-2H-1,4-thiazine-5-carboxamide (CID 90327894) is 3,4-dihydro-2H-1,4-thiazine-5-carboxamide.
What is the SMILES notation for 3,4-dihydro-2H-1,4-thiazine-5-carboxamide?
The canonical SMILES for 3,4-dihydro-2H-1,4-thiazine-5-carboxamide is NC(=O)C1=CSCCN1.
What is the InChIKey of 3,4-dihydro-2H-1,4-thiazine-5-carboxamide?
The InChIKey is UCUNHOQIJADURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c6-5(8)4-3-9-2-1-7-4/h3,7H,1-2H2,(H2,6,8).
What are the key properties of 3,4-dihydro-2H-1,4-thiazine-5-carboxamide?
3,4-dihydro-2H-1,4-thiazine-5-carboxamide has a molecular weight of 144.20 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-1,4-thiazine-5-carboxamide is sourced from PubChem (CID 90327894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).