5,6-dihydro-4H-1,3-thiazin-2-ylcyanamide

C5H7N3S — CID 3543509

IUPAC5,6-dihydro-4H-1,3-thiazin-2-ylcyanamide
SMILESN#CNC1=NCCCS1
InChIInChI=1S/C5H7N3S/c6-4-8-5-7-2-1-3-9-5/h1-3H2,(H,7,8)
InChIKeyCSMDWBLKVHJMIB-UHFFFAOYSA-N
MW141.20 g/mol
LogP0.55
Rot. Bonds

About 5,6-dihydro-4H-1,3-thiazin-2-ylcyanamide

5,6-dihydro-4H-1,3-thiazin-2-ylcyanamide (PubChem CID 3543509) has the molecular formula C5H7N3S and a molecular weight of 141.20 g/mol. Its IUPAC name is 5,6-dihydro-4H-1,3-thiazin-2-ylcyanamide.

Molecular Properties

Compound Name5,6-dihydro-4H-1,3-thiazin-2-ylcyanamide
PubChem CID3543509
Molecular FormulaC5H7N3S
Molecular Weight141.20 g/mol
Exact Mass141.04
IUPAC Name5,6-dihydro-4H-1,3-thiazin-2-ylcyanamide
SMILESN#CNC1=NCCCS1
InChIInChI=1S/C5H7N3S/c6-4-8-5-7-2-1-3-9-5/h1-3H2,(H,7,8)
InChIKeyCSMDWBLKVHJMIB-UHFFFAOYSA-N
XLogP0.55
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.20
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-1,3-thiazin-2-ylcyanamide?
The IUPAC name of 5,6-dihydro-4H-1,3-thiazin-2-ylcyanamide (CID 3543509) is 5,6-dihydro-4H-1,3-thiazin-2-ylcyanamide.
What is the SMILES notation for 5,6-dihydro-4H-1,3-thiazin-2-ylcyanamide?
The canonical SMILES for 5,6-dihydro-4H-1,3-thiazin-2-ylcyanamide is N#CNC1=NCCCS1.
What is the InChIKey of 5,6-dihydro-4H-1,3-thiazin-2-ylcyanamide?
The InChIKey is CSMDWBLKVHJMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3S/c6-4-8-5-7-2-1-3-9-5/h1-3H2,(H,7,8).
What are the key properties of 5,6-dihydro-4H-1,3-thiazin-2-ylcyanamide?
5,6-dihydro-4H-1,3-thiazin-2-ylcyanamide has a molecular weight of 141.20 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-1,3-thiazin-2-ylcyanamide is sourced from PubChem (CID 3543509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).