2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1,3-thiazine

C10H13NS — CID 134526700

IUPAC2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1,3-thiazine
SMILESC=C1SC(C)=NC(/C=C\C)=C1C
InChIInChI=1S/C10H13NS/c1-5-6-10-7(2)8(3)12-9(4)11-10/h5-6H,3H2,1-2,4H3/b6-5-
InChIKeyOGZZDTXVDBPEEE-WAYWQWQTSA-N
MW179.29 g/mol
LogP3.52
Rot. Bonds1

About 2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1,3-thiazine

2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1,3-thiazine (PubChem CID 134526700) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1,3-thiazine.

Molecular Properties

Compound Name2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1,3-thiazine
PubChem CID134526700
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1,3-thiazine
SMILESC=C1SC(C)=NC(/C=C\C)=C1C
InChIInChI=1S/C10H13NS/c1-5-6-10-7(2)8(3)12-9(4)11-10/h5-6H,3H2,1-2,4H3/b6-5-
InChIKeyOGZZDTXVDBPEEE-WAYWQWQTSA-N
XLogP3.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1,3-thiazine?
The IUPAC name of 2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1,3-thiazine (CID 134526700) is 2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1,3-thiazine.
What is the SMILES notation for 2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1,3-thiazine?
The canonical SMILES for 2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1,3-thiazine is C=C1SC(C)=NC(/C=C\C)=C1C.
What is the InChIKey of 2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1,3-thiazine?
The InChIKey is OGZZDTXVDBPEEE-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H13NS/c1-5-6-10-7(2)8(3)12-9(4)11-10/h5-6H,3H2,1-2,4H3/b6-5-.
What are the key properties of 2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1,3-thiazine?
2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1,3-thiazine has a molecular weight of 179.29 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-methylidene-4-[(Z)-prop-1-enyl]-1,3-thiazine is sourced from PubChem (CID 134526700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).