2-pent-2-en-2-yl-4,5-dihydro-1,3-thiazole

C8H13NS — CID 91379774

IUPAC2-pent-2-en-2-yl-4,5-dihydro-1,3-thiazole
SMILESCCC=C(C)C1=NCCS1
InChIInChI=1S/C8H13NS/c1-3-4-7(2)8-9-5-6-10-8/h4H,3,5-6H2,1-2H3
InChIKeyDBCXMGXXMPYNLW-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.49
Rot. Bonds2

About 2-pent-2-en-2-yl-4,5-dihydro-1,3-thiazole

2-pent-2-en-2-yl-4,5-dihydro-1,3-thiazole (PubChem CID 91379774) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 2-pent-2-en-2-yl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-pent-2-en-2-yl-4,5-dihydro-1,3-thiazole
PubChem CID91379774
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name2-pent-2-en-2-yl-4,5-dihydro-1,3-thiazole
SMILESCCC=C(C)C1=NCCS1
InChIInChI=1S/C8H13NS/c1-3-4-7(2)8-9-5-6-10-8/h4H,3,5-6H2,1-2H3
InChIKeyDBCXMGXXMPYNLW-UHFFFAOYSA-N
XLogP2.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.49
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
2-[(E)-1-fluoro-3-methylbut-1-enyl]-4,5-dihydro-1,3-thiazole
CID 11412655
4-tert-butyl-5-(2,2-dimethylpropylsulfanyl)-2H-pyrrole
CID 58263430
2-[(2Z,4Z)-3-methylhepta-2,4,6-trienyl]-4,5-dihydro-1,3-thiazole
CID 88860328
5-(1-Methylsulfanylethyl)-2,3-dihydropyridine
CID 91177357
N-ethyl-2-(1-methylsulfanylethyl)but-2-en-1-imine
CID 91180521
N-methyl-3-(2-methylidenebutylidene)thiophen-2-imine
CID 123529924
(2Z)-N,4-dimethyl-2-(2-methylpropylidene)thiophen-3-imine
CID 139473668
(3Z)-5-ethyl-N-methyl-3-propylidenethiophen-2-imine
CID 144699030
(3Z)-3-butylidene-N-methylthiophen-2-imine
CID 144960236
ethane;(3Z)-N-ethyl-3-ethylidenethiophen-2-imine
CID 145640282
N,5-dimethyl-3-propan-2-ylidenethiophen-2-imine
CID 153342683

Frequently Asked Questions

What is the IUPAC name of 2-pent-2-en-2-yl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-pent-2-en-2-yl-4,5-dihydro-1,3-thiazole (CID 91379774) is 2-pent-2-en-2-yl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-pent-2-en-2-yl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-pent-2-en-2-yl-4,5-dihydro-1,3-thiazole is CCC=C(C)C1=NCCS1.
What is the InChIKey of 2-pent-2-en-2-yl-4,5-dihydro-1,3-thiazole?
The InChIKey is DBCXMGXXMPYNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-3-4-7(2)8-9-5-6-10-8/h4H,3,5-6H2,1-2H3.
What are the key properties of 2-pent-2-en-2-yl-4,5-dihydro-1,3-thiazole?
2-pent-2-en-2-yl-4,5-dihydro-1,3-thiazole has a molecular weight of 155.27 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-2-en-2-yl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 91379774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).