4,5-bis(ethenyl)-2-methyl-2,3-dihydro-1,3-thiazole

C8H11NS — CID 142208699

IUPAC4,5-bis(ethenyl)-2-methyl-2,3-dihydro-1,3-thiazole
SMILESC=CC1=C(C=C)SC(C)N1
InChIInChI=1S/C8H11NS/c1-4-7-8(5-2)10-6(3)9-7/h4-6,9H,1-2H2,3H3
InChIKeyXDFSJCUOORVXLH-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.25
Rot. Bonds2

About 4,5-bis(ethenyl)-2-methyl-2,3-dihydro-1,3-thiazole

4,5-bis(ethenyl)-2-methyl-2,3-dihydro-1,3-thiazole (PubChem CID 142208699) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-2-methyl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4,5-bis(ethenyl)-2-methyl-2,3-dihydro-1,3-thiazole
PubChem CID142208699
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name4,5-bis(ethenyl)-2-methyl-2,3-dihydro-1,3-thiazole
SMILESC=CC1=C(C=C)SC(C)N1
InChIInChI=1S/C8H11NS/c1-4-7-8(5-2)10-6(3)9-7/h4-6,9H,1-2H2,3H3
InChIKeyXDFSJCUOORVXLH-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2E,4Z)-2-methylsulfanyl-N-prop-1-en-2-ylhexa-2,4-dien-1-amine
CID 89088796
4-Ethenyl-2-methyl-2,3-dihydro-1,3-thiazole
CID 89097205
4-Chloro-5-ethenylsulfanyl-6-methyl-1,2-dihydropyridine
CID 89315037
(2R,5E)-2-methyl-5-[(2Z)-penta-2,4-dienylidene]-1,3-thiazolidine
CID 89319225
5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole
CID 121275139
4-[(1Z)-buta-1,3-dienyl]-5-ethenyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole
CID 137458078
4-[(Z)-prop-1-enyl]-5-[(E)-prop-1-enyl]-2,3-dihydro-1,3-thiazole
CID 141790160
ethane;2-methyl-4-[(E)-2-(3-methylbut-2-en-2-ylsulfanyl)ethenyl]-5-[(E)-prop-1-enyl]-2,3-dihydro-1,3-thiazole
CID 141811446
(2E)-2-[(Z)-but-2-enylidene]-3-methylidenethiomorpholine
CID 142054803
(4E,5E)-4,5-di(ethylidene)-2-methyl-1,3-thiazolidine;ethane
CID 142056511
2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole
CID 142099508
(2R,4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazolidine
CID 142272294

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-2-methyl-2,3-dihydro-1,3-thiazole?
The IUPAC name of 4,5-bis(ethenyl)-2-methyl-2,3-dihydro-1,3-thiazole (CID 142208699) is 4,5-bis(ethenyl)-2-methyl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 4,5-bis(ethenyl)-2-methyl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 4,5-bis(ethenyl)-2-methyl-2,3-dihydro-1,3-thiazole is C=CC1=C(C=C)SC(C)N1.
What is the InChIKey of 4,5-bis(ethenyl)-2-methyl-2,3-dihydro-1,3-thiazole?
The InChIKey is XDFSJCUOORVXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-4-7-8(5-2)10-6(3)9-7/h4-6,9H,1-2H2,3H3.
What are the key properties of 4,5-bis(ethenyl)-2-methyl-2,3-dihydro-1,3-thiazole?
4,5-bis(ethenyl)-2-methyl-2,3-dihydro-1,3-thiazole has a molecular weight of 153.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-2-methyl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 142208699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).