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

C8H11NS — CID 143071473

IUPAC4-[(Z)-but-2-enyl]-2-methyl-1,3-thiazole
SMILESC/C=C\Cc1csc(C)n1
InChIInChI=1S/C8H11NS/c1-3-4-5-8-6-10-7(2)9-8/h3-4,6H,5H2,1-2H3/b4-3-
InChIKeyGRMDWDHEIYRWSN-ARJAWSKDSA-N
MW153.25 g/mol
LogP2.57
Rot. Bonds2

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

4-[(Z)-but-2-enyl]-2-methyl-1,3-thiazole (PubChem CID 143071473) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 4-[(Z)-but-2-enyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(Z)-but-2-enyl]-2-methyl-1,3-thiazole
PubChem CID143071473
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name4-[(Z)-but-2-enyl]-2-methyl-1,3-thiazole
SMILESC/C=C\Cc1csc(C)n1
InChIInChI=1S/C8H11NS/c1-3-4-5-8-6-10-7(2)9-8/h3-4,6H,5H2,1-2H3/b4-3-
InChIKeyGRMDWDHEIYRWSN-ARJAWSKDSA-N
XLogP2.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.57
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

4-ethyl-2-methyl-1,3-thiazole;hydrochloride
CID 141419064
N-[5-(2-methyl-1,3-thiazol-4-yl)pent-3-enyl]cyclopropanamine
CID 79590603
4-(chloromethyl)-2-methyl-1,3-thiazole;dihydrochloride
CID 133061330
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]hydrazine
CID 89029484
2-methyl-4-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 116888513
N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]but-2-ene-1,4-diamine
CID 77110787
4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-2-one
CID 116550795
(2S)-1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 94607240
1-(2-methyl-1,3-thiazol-4-yl)butan-2-amine
CID 62798804
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine;hydrate;dihydrochloride
CID 74892089
4-methyl-1-(2-methyl-1,3-thiazol-4-yl)pent-3-en-2-amine
CID 79190091
[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]phenyl]methanamine
CID 58112094

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-2-enyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[(Z)-but-2-enyl]-2-methyl-1,3-thiazole (CID 143071473) is 4-[(Z)-but-2-enyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(Z)-but-2-enyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[(Z)-but-2-enyl]-2-methyl-1,3-thiazole is C/C=C\Cc1csc(C)n1.
What is the InChIKey of 4-[(Z)-but-2-enyl]-2-methyl-1,3-thiazole?
The InChIKey is GRMDWDHEIYRWSN-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H11NS/c1-3-4-5-8-6-10-7(2)9-8/h3-4,6H,5H2,1-2H3/b4-3-.
What are the key properties of 4-[(Z)-but-2-enyl]-2-methyl-1,3-thiazole?
4-[(Z)-but-2-enyl]-2-methyl-1,3-thiazole has a molecular weight of 153.25 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-2-enyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 143071473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).