6-[(Z)-but-1-enyl]-5-ethenyl-2-methylidene-3,4-dihydro-1,3-thiazine

C11H15NS — CID 142074118

IUPAC6-[(Z)-but-1-enyl]-5-ethenyl-2-methylidene-3,4-dihydro-1,3-thiazine
SMILESC=CC1=C(/C=C\CC)SC(=C)NC1
InChIInChI=1S/C11H15NS/c1-4-6-7-11-10(5-2)8-12-9(3)13-11/h5-7,12H,2-4,8H2,1H3/b7-6-
InChIKeyYXEIDQRBAIWMPS-SREVYHEPSA-N
MW193.31 g/mol
LogP3.20
Rot. Bonds3

About 6-[(Z)-but-1-enyl]-5-ethenyl-2-methylidene-3,4-dihydro-1,3-thiazine

6-[(Z)-but-1-enyl]-5-ethenyl-2-methylidene-3,4-dihydro-1,3-thiazine (PubChem CID 142074118) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 6-[(Z)-but-1-enyl]-5-ethenyl-2-methylidene-3,4-dihydro-1,3-thiazine.

Molecular Properties

Compound Name6-[(Z)-but-1-enyl]-5-ethenyl-2-methylidene-3,4-dihydro-1,3-thiazine
PubChem CID142074118
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name6-[(Z)-but-1-enyl]-5-ethenyl-2-methylidene-3,4-dihydro-1,3-thiazine
SMILESC=CC1=C(/C=C\CC)SC(=C)NC1
InChIInChI=1S/C11H15NS/c1-4-6-7-11-10(5-2)8-12-9(3)13-11/h5-7,12H,2-4,8H2,1H3/b7-6-
InChIKeyYXEIDQRBAIWMPS-SREVYHEPSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 155490173
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2,3-dimethyl-2-methylsulfanyl-1H-pyridine
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4-methyl-3-[(Z)-prop-1-enyl]-1,2-dihydropyridine
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4-methyl-8,9-dihydro-5H-pyrido[3,2-f][1,4]thiazepine
CID 70353094
3-(2-methylprop-1-enyl)-1H-pyridine-2-thione
CID 122488046
3-Ethyl-2-methylsulfanyl-1,2-dihydropyridine
CID 124142756
ethane;(Z,2Z)-N-methyl-2-[1-[methyl(methylidene)-lambda4-sulfanyl]ethylidene]pent-3-en-1-amine
CID 143342682
1-cyclohexa-1,5-dien-1-yl-N-[(trimethyl-lambda4-sulfanyl)methyl]methanamine
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5,6-bis(ethenyl)-3,4-dihydro-2H-1,3-thiazine
CID 145093800
(2E)-7-methyl-2-propylidene-4,7-dihydro-3H-cyclopenta[e][1,3]thiazine
CID 156422207

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-but-1-enyl]-5-ethenyl-2-methylidene-3,4-dihydro-1,3-thiazine?
The IUPAC name of 6-[(Z)-but-1-enyl]-5-ethenyl-2-methylidene-3,4-dihydro-1,3-thiazine (CID 142074118) is 6-[(Z)-but-1-enyl]-5-ethenyl-2-methylidene-3,4-dihydro-1,3-thiazine.
What is the SMILES notation for 6-[(Z)-but-1-enyl]-5-ethenyl-2-methylidene-3,4-dihydro-1,3-thiazine?
The canonical SMILES for 6-[(Z)-but-1-enyl]-5-ethenyl-2-methylidene-3,4-dihydro-1,3-thiazine is C=CC1=C(/C=C\CC)SC(=C)NC1.
What is the InChIKey of 6-[(Z)-but-1-enyl]-5-ethenyl-2-methylidene-3,4-dihydro-1,3-thiazine?
The InChIKey is YXEIDQRBAIWMPS-SREVYHEPSA-N. The full InChI is InChI=1S/C11H15NS/c1-4-6-7-11-10(5-2)8-12-9(3)13-11/h5-7,12H,2-4,8H2,1H3/b7-6-.
What are the key properties of 6-[(Z)-but-1-enyl]-5-ethenyl-2-methylidene-3,4-dihydro-1,3-thiazine?
6-[(Z)-but-1-enyl]-5-ethenyl-2-methylidene-3,4-dihydro-1,3-thiazine has a molecular weight of 193.31 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-but-1-enyl]-5-ethenyl-2-methylidene-3,4-dihydro-1,3-thiazine is sourced from PubChem (CID 142074118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).