4,4-dimethyl-2-[(E)-2-phenylethenyl]-5,6-dihydro-1,3-thiazine

C14H17NS — CID 6078562

IUPAC4,4-dimethyl-2-[(E)-2-phenylethenyl]-5,6-dihydro-1,3-thiazine
SMILESCC1(C)CCSC(/C=C/c2ccccc2)=N1
InChIInChI=1S/C14H17NS/c1-14(2)10-11-16-13(15-14)9-8-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3/b9-8+
InChIKeyJNTQZYJXSXRQBP-CMDGGOBGSA-N
MW231.36 g/mol
LogP4.01
Rot. Bonds2

About 4,4-dimethyl-2-[(E)-2-phenylethenyl]-5,6-dihydro-1,3-thiazine

4,4-dimethyl-2-[(E)-2-phenylethenyl]-5,6-dihydro-1,3-thiazine (PubChem CID 6078562) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 4,4-dimethyl-2-[(E)-2-phenylethenyl]-5,6-dihydro-1,3-thiazine.

Molecular Properties

Compound Name4,4-dimethyl-2-[(E)-2-phenylethenyl]-5,6-dihydro-1,3-thiazine
PubChem CID6078562
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name4,4-dimethyl-2-[(E)-2-phenylethenyl]-5,6-dihydro-1,3-thiazine
SMILESCC1(C)CCSC(/C=C/c2ccccc2)=N1
InChIInChI=1S/C14H17NS/c1-14(2)10-11-16-13(15-14)9-8-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3/b9-8+
InChIKeyJNTQZYJXSXRQBP-CMDGGOBGSA-N
XLogP4.01
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[(E)-2-phenylethenyl]-5,6-dihydro-1,3-thiazine?
The IUPAC name of 4,4-dimethyl-2-[(E)-2-phenylethenyl]-5,6-dihydro-1,3-thiazine (CID 6078562) is 4,4-dimethyl-2-[(E)-2-phenylethenyl]-5,6-dihydro-1,3-thiazine.
What is the SMILES notation for 4,4-dimethyl-2-[(E)-2-phenylethenyl]-5,6-dihydro-1,3-thiazine?
The canonical SMILES for 4,4-dimethyl-2-[(E)-2-phenylethenyl]-5,6-dihydro-1,3-thiazine is CC1(C)CCSC(/C=C/c2ccccc2)=N1.
What is the InChIKey of 4,4-dimethyl-2-[(E)-2-phenylethenyl]-5,6-dihydro-1,3-thiazine?
The InChIKey is JNTQZYJXSXRQBP-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H17NS/c1-14(2)10-11-16-13(15-14)9-8-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3/b9-8+.
What are the key properties of 4,4-dimethyl-2-[(E)-2-phenylethenyl]-5,6-dihydro-1,3-thiazine?
4,4-dimethyl-2-[(E)-2-phenylethenyl]-5,6-dihydro-1,3-thiazine has a molecular weight of 231.36 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[(E)-2-phenylethenyl]-5,6-dihydro-1,3-thiazine is sourced from PubChem (CID 6078562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).