2,3-bis[(Z)-prop-1-enyl]-4H-1,4-thiazine

C10H13NS — CID 134457648

IUPAC2,3-bis[(Z)-prop-1-enyl]-4H-1,4-thiazine
SMILESC/C=C\C1=C(/C=C\C)SC=CN1
InChIInChI=1S/C10H13NS/c1-3-5-9-10(6-4-2)12-8-7-11-9/h3-8,11H,1-2H3/b5-3-,6-4-
InChIKeyICMBETQUQHQWNA-GLIMQPGKSA-N
MW179.29 g/mol
LogP3.16
Rot. Bonds2

About 2,3-bis[(Z)-prop-1-enyl]-4H-1,4-thiazine

2,3-bis[(Z)-prop-1-enyl]-4H-1,4-thiazine (PubChem CID 134457648) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 2,3-bis[(Z)-prop-1-enyl]-4H-1,4-thiazine.

Molecular Properties

Compound Name2,3-bis[(Z)-prop-1-enyl]-4H-1,4-thiazine
PubChem CID134457648
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name2,3-bis[(Z)-prop-1-enyl]-4H-1,4-thiazine
SMILESC/C=C\C1=C(/C=C\C)SC=CN1
InChIInChI=1S/C10H13NS/c1-3-5-9-10(6-4-2)12-8-7-11-9/h3-8,11H,1-2H3/b5-3-,6-4-
InChIKeyICMBETQUQHQWNA-GLIMQPGKSA-N
XLogP3.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3-bis[(Z)-prop-1-enyl]-4H-1,4-thiazine 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 2,3-bis[(Z)-prop-1-enyl]-4H-1,4-thiazine?
The IUPAC name of 2,3-bis[(Z)-prop-1-enyl]-4H-1,4-thiazine (CID 134457648) is 2,3-bis[(Z)-prop-1-enyl]-4H-1,4-thiazine.
What is the SMILES notation for 2,3-bis[(Z)-prop-1-enyl]-4H-1,4-thiazine?
The canonical SMILES for 2,3-bis[(Z)-prop-1-enyl]-4H-1,4-thiazine is C/C=C\C1=C(/C=C\C)SC=CN1.
What is the InChIKey of 2,3-bis[(Z)-prop-1-enyl]-4H-1,4-thiazine?
The InChIKey is ICMBETQUQHQWNA-GLIMQPGKSA-N. The full InChI is InChI=1S/C10H13NS/c1-3-5-9-10(6-4-2)12-8-7-11-9/h3-8,11H,1-2H3/b5-3-,6-4-.
What are the key properties of 2,3-bis[(Z)-prop-1-enyl]-4H-1,4-thiazine?
2,3-bis[(Z)-prop-1-enyl]-4H-1,4-thiazine has a molecular weight of 179.29 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis[(Z)-prop-1-enyl]-4H-1,4-thiazine is sourced from PubChem (CID 134457648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).