ethane;2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole

C10H19NS — CID 143892380

IUPACethane;2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole
SMILESCC.CCC/C=C/C1=NCCS1
InChIInChI=1S/C8H13NS.C2H6/c1-2-3-4-5-8-9-6-7-10-8;1-2/h4-5H,2-3,6-7H2,1H3;1-2H3/b5-4+;
InChIKeyFYVJHSUMZWVTCS-FXRZFVDSSA-N
MW185.34 g/mol
LogP3.51
Rot. Bonds3

About ethane;2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole

ethane;2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole (PubChem CID 143892380) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is ethane;2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Nameethane;2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole
PubChem CID143892380
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Nameethane;2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole
SMILESCC.CCC/C=C/C1=NCCS1
InChIInChI=1S/C8H13NS.C2H6/c1-2-3-4-5-8-9-6-7-10-8;1-2/h4-5H,2-3,6-7H2,1H3;1-2H3/b5-4+;
InChIKeyFYVJHSUMZWVTCS-FXRZFVDSSA-N
XLogP3.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-3,3-dimethylbut-1-enyl]-4,5-dihydro-1,3-thiazole
CID 11542847
4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole
CID 121327428
ethyl N-[(Z)-pent-2-enyl]ethanimidothioate
CID 121330080
[(2E)-hepta-2,6-dien-2-yl] N-methylethanimidothioate
CID 121462306
6-Propan-2-ylsulfanyl-2,3-dihydropyridine
CID 123139916
pent-4-en-2-yl N-ethylethanimidothioate
CID 126621407
4-[(E)-but-1-enyl]-2-methyl-2H-1,3-thiazete
CID 132034048
(E)-6-ethylsulfanyl-N-methylhept-3-en-2-imine
CID 139378591
5-[(Z)-but-2-enyl]-2,4-dimethyl-4,5-dihydro-1,3-thiazole;ethane;ethene
CID 141771732
ethane;ethenyl (Z)-N-ethenylpent-2-enimidothioate
CID 143891117
ethenyl (E)-N-ethenylhex-2-enimidothioate;2-methylpropane
CID 143891680
ethane;ethenyl (E)-N-ethenylhex-2-enimidothioate
CID 143891713

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of ethane;2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole (CID 143892380) is ethane;2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for ethane;2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for ethane;2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole is CC.CCC/C=C/C1=NCCS1.
What is the InChIKey of ethane;2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is FYVJHSUMZWVTCS-FXRZFVDSSA-N. The full InChI is InChI=1S/C8H13NS.C2H6/c1-2-3-4-5-8-9-6-7-10-8;1-2/h4-5H,2-3,6-7H2,1H3;1-2H3/b5-4+;.
What are the key properties of ethane;2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole?
ethane;2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 185.34 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 143892380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).