5-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-2,3-dihydro-1,3-thiazole

C10H15NS — CID 143137406

IUPAC5-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-2,3-dihydro-1,3-thiazole
SMILESC=CC1=C(/C=C\CC)SC(C)N1
InChIInChI=1S/C10H15NS/c1-4-6-7-10-9(5-2)11-8(3)12-10/h5-8,11H,2,4H2,1,3H3/b7-6-
InChIKeyVMEWMWQUUAJLBD-SREVYHEPSA-N
MW181.30 g/mol
LogP3.03
Rot. Bonds3

About 5-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-2,3-dihydro-1,3-thiazole

5-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-2,3-dihydro-1,3-thiazole (PubChem CID 143137406) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 5-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name5-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-2,3-dihydro-1,3-thiazole
PubChem CID143137406
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name5-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-2,3-dihydro-1,3-thiazole
SMILESC=CC1=C(/C=C\CC)SC(C)N1
InChIInChI=1S/C10H15NS/c1-4-6-7-10-9(5-2)11-8(3)12-10/h5-8,11H,2,4H2,1,3H3/b7-6-
InChIKeyVMEWMWQUUAJLBD-SREVYHEPSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hexa-2,4-dienyl-1,3-thiazolidine
CID 53994729
2-Methyl-2,3,6,7-tetrahydro-1,3-benzothiazole
CID 121486631
4-Ethylsulfanyl-5-methyl-6-(2-methylprop-1-enyl)-1,2-dihydropyridine
CID 138614558
2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole
CID 142099508
4,5-Bis(ethenyl)-2-methyl-2,3-dihydro-1,3-thiazole
CID 142208699
2-Methyl-2,3,4,5-tetrahydro-1,3-benzothiazole
CID 142249062
(2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]thiomorpholine
CID 142253686
(2R,4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazolidine
CID 142272294
5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole
CID 142884232
6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-thiazine
CID 143005433
ethane;4-[(2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]-2,5-dimethyl-2,3-dihydro-1,3-thiazole
CID 143039774
2-ethyl-3,6,7,8-tetrahydro-2H-cyclohepta[d][1,3]thiazole
CID 143108386

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-2,3-dihydro-1,3-thiazole?
The IUPAC name of 5-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-2,3-dihydro-1,3-thiazole (CID 143137406) is 5-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 5-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 5-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-2,3-dihydro-1,3-thiazole is C=CC1=C(/C=C\CC)SC(C)N1.
What is the InChIKey of 5-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-2,3-dihydro-1,3-thiazole?
The InChIKey is VMEWMWQUUAJLBD-SREVYHEPSA-N. The full InChI is InChI=1S/C10H15NS/c1-4-6-7-10-9(5-2)11-8(3)12-10/h5-8,11H,2,4H2,1,3H3/b7-6-.
What are the key properties of 5-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-2,3-dihydro-1,3-thiazole?
5-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-2,3-dihydro-1,3-thiazole has a molecular weight of 181.30 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 143137406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).