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

C8H13NS — CID 121327428

IUPAC4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole
SMILESCC/C=C\C1CSC(C)=N1
InChIInChI=1S/C8H13NS/c1-3-4-5-8-6-10-7(2)9-8/h4-5,8H,3,6H2,1-2H3/b5-4-
InChIKeyZNONWGYTGWFBCF-PLNGDYQASA-N
MW155.27 g/mol
LogP2.49
Rot. Bonds2

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

4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole (PubChem CID 121327428) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole
PubChem CID121327428
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole
SMILESCC/C=C\C1CSC(C)=N1
InChIInChI=1S/C8H13NS/c1-3-4-5-8-6-10-7(2)9-8/h4-5,8H,3,6H2,1-2H3/b5-4-
InChIKeyZNONWGYTGWFBCF-PLNGDYQASA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R)-2-[(1R,2S)-2-methylcyclopropyl]-4-[(Z)-prop-1-enyl]-4,5-dihydro-1,3-thiazole
CID 10081028
2-Methyl-3a,7a-dihydro-1,3-benzothiazole
CID 18681653
2-Methyl-3a,4-dihydro-1,3-benzothiazole
CID 22064067
2,5-Dimethyl-3a,7a-dihydro-1,3-benzothiazole
CID 60099158
2-Ethyl-3a,7a-dihydro-1,3-benzothiazole
CID 67561612
(5E)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-4H-1,3-thiazole
CID 89319266
(3aR)-2-methyl-3a,4-dihydro-1,3-benzothiazole
CID 89367458
2,6-Dimethyl-3a,7a-dihydro-1,3-benzothiazole
CID 89834119
6-Ethyl-2-methyl-3a,7a-dihydro-1,3-benzothiazole
CID 89834153
ethyl N-[(Z)-pent-2-enyl]ethanimidothioate
CID 121330080
6-Propan-2-ylsulfanyl-2,3-dihydropyridine
CID 123139916
N-[5-[ethyl(dimethyl)-lambda4-sulfanyl]hexa-2,5-dienyl]ethanimine
CID 123147571

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole (CID 121327428) is 4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole is CC/C=C\C1CSC(C)=N1.
What is the InChIKey of 4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole?
The InChIKey is ZNONWGYTGWFBCF-PLNGDYQASA-N. The full InChI is InChI=1S/C8H13NS/c1-3-4-5-8-6-10-7(2)9-8/h4-5,8H,3,6H2,1-2H3/b5-4-.
What are the key properties of 4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole?
4-[(Z)-but-1-enyl]-2-methyl-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 4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 121327428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).