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

C8H13NS — CID 143892381

IUPAC2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole
SMILESCCC/C=C/C1=NCCS1
InChIInChI=1S/C8H13NS/c1-2-3-4-5-8-9-6-7-10-8/h4-5H,2-3,6-7H2,1H3/b5-4+
InChIKeyYHQNBLPRHLWRSO-SNAWJCMRSA-N
MW155.27 g/mol
LogP2.49
Rot. Bonds3

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

2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole (PubChem CID 143892381) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole
PubChem CID143892381
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole
SMILESCCC/C=C/C1=NCCS1
InChIInChI=1S/C8H13NS/c1-2-3-4-5-8-9-6-7-10-8/h4-5H,2-3,6-7H2,1H3/b5-4+
InChIKeyYHQNBLPRHLWRSO-SNAWJCMRSA-N
XLogP2.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

Analyze 2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Prop-1-en-1-yl)-4,5-dihydro-1,3-thiazole
CID 129752043
2-[(E)-3,3-dimethylbut-1-enyl]-4,5-dihydro-1,3-thiazole
CID 11542847
2-[(E)-prop-1-enyl]-4,5-dihydro-1,3-thiazole
CID 89114959
2-(2-Ethyl-2,3-dihydrothiophen-5-yl)-4,5-dihydro-1,3-thiazole
CID 89272394
2-Pent-2-en-2-yl-4,5-dihydro-1,3-thiazole
CID 91379774
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
4-[(E)-but-1-enyl]-2-methyl-2H-1,3-thiazete
CID 132034048
2,5-Dimethyl-3a,7a-dihydro-[1,3]thiazolo[4,5-b]pyridine
CID 132083333
(E)-6-ethylsulfanyl-N-methylhept-3-en-2-imine
CID 139378591

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole (CID 143892381) is 2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole is CCC/C=C/C1=NCCS1.
What is the InChIKey of 2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole?
The InChIKey is YHQNBLPRHLWRSO-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H13NS/c1-2-3-4-5-8-9-6-7-10-8/h4-5H,2-3,6-7H2,1H3/b5-4+.
What are the key properties of 2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole?
2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole has a molecular weight of 155.27 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-pent-1-enyl]-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 143892381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).