4-ethyl-5-methyl-2-propa-1,2-dienyl-3,6-bis[(Z)-prop-1-enyl]-1,4-thiazine

C16H21NS — CID 129042272

IUPAC4-ethyl-5-methyl-2-propa-1,2-dienyl-3,6-bis[(Z)-prop-1-enyl]-1,4-thiazine
SMILESC=C=CC1=C(/C=C\C)N(CC)C(C)=C(/C=C\C)S1
InChIInChI=1S/C16H21NS/c1-6-10-14-16(12-8-3)18-15(11-7-2)13(5)17(14)9-4/h6-7,10-12H,3,9H2,1-2,4-5H3/b10-6-,11-7-
InChIKeyLCMDVAVMLQWJIQ-SQXCDDPUSA-N
MW259.42 g/mol
LogP4.99
Rot. Bonds4

About 4-ethyl-5-methyl-2-propa-1,2-dienyl-3,6-bis[(Z)-prop-1-enyl]-1,4-thiazine

4-ethyl-5-methyl-2-propa-1,2-dienyl-3,6-bis[(Z)-prop-1-enyl]-1,4-thiazine (PubChem CID 129042272) has the molecular formula C16H21NS and a molecular weight of 259.42 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-propa-1,2-dienyl-3,6-bis[(Z)-prop-1-enyl]-1,4-thiazine.

Molecular Properties

Compound Name4-ethyl-5-methyl-2-propa-1,2-dienyl-3,6-bis[(Z)-prop-1-enyl]-1,4-thiazine
PubChem CID129042272
Molecular FormulaC16H21NS
Molecular Weight259.42 g/mol
Exact Mass259.14
IUPAC Name4-ethyl-5-methyl-2-propa-1,2-dienyl-3,6-bis[(Z)-prop-1-enyl]-1,4-thiazine
SMILESC=C=CC1=C(/C=C\C)N(CC)C(C)=C(/C=C\C)S1
InChIInChI=1S/C16H21NS/c1-6-10-14-16(12-8-3)18-15(11-7-2)13(5)17(14)9-4/h6-7,10-12H,3,9H2,1-2,4-5H3/b10-6-,11-7-
InChIKeyLCMDVAVMLQWJIQ-SQXCDDPUSA-N
XLogP4.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.42
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 129646622
CID 129646622
CID 59893091
CID 59893091
CID 60004040
CID 60004040
CID 60004042
CID 60004042
CID 89775005
CID 89775005
CID 129214832
CID 129214832
CID 142222939
CID 142222939
CID 142222940
CID 142222940
CID 143411153
CID 143411153
CID 143707852
CID 143707852
CID 143764438
CID 143764438
CID 143764439
CID 143764439

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2-propa-1,2-dienyl-3,6-bis[(Z)-prop-1-enyl]-1,4-thiazine?
The IUPAC name of 4-ethyl-5-methyl-2-propa-1,2-dienyl-3,6-bis[(Z)-prop-1-enyl]-1,4-thiazine (CID 129042272) is 4-ethyl-5-methyl-2-propa-1,2-dienyl-3,6-bis[(Z)-prop-1-enyl]-1,4-thiazine.
What is the SMILES notation for 4-ethyl-5-methyl-2-propa-1,2-dienyl-3,6-bis[(Z)-prop-1-enyl]-1,4-thiazine?
The canonical SMILES for 4-ethyl-5-methyl-2-propa-1,2-dienyl-3,6-bis[(Z)-prop-1-enyl]-1,4-thiazine is C=C=CC1=C(/C=C\C)N(CC)C(C)=C(/C=C\C)S1.
What is the InChIKey of 4-ethyl-5-methyl-2-propa-1,2-dienyl-3,6-bis[(Z)-prop-1-enyl]-1,4-thiazine?
The InChIKey is LCMDVAVMLQWJIQ-SQXCDDPUSA-N. The full InChI is InChI=1S/C16H21NS/c1-6-10-14-16(12-8-3)18-15(11-7-2)13(5)17(14)9-4/h6-7,10-12H,3,9H2,1-2,4-5H3/b10-6-,11-7-.
What are the key properties of 4-ethyl-5-methyl-2-propa-1,2-dienyl-3,6-bis[(Z)-prop-1-enyl]-1,4-thiazine?
4-ethyl-5-methyl-2-propa-1,2-dienyl-3,6-bis[(Z)-prop-1-enyl]-1,4-thiazine has a molecular weight of 259.42 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2-propa-1,2-dienyl-3,6-bis[(Z)-prop-1-enyl]-1,4-thiazine is sourced from PubChem (CID 129042272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).