5-ethenyl-2-(1-ethoxyprop-1-enyl)-1,3-thiazole

C10H13NOS — CID 138976937

IUPAC5-ethenyl-2-(1-ethoxyprop-1-enyl)-1,3-thiazole
SMILESC=Cc1cnc(C(=CC)OCC)s1
InChIInChI=1S/C10H13NOS/c1-4-8-7-11-10(13-8)9(5-2)12-6-3/h4-5,7H,1,6H2,2-3H3
InChIKeyVVPVMCQBYTWURV-UHFFFAOYSA-N
MW195.29 g/mol
LogP3.18
Rot. Bonds4

About 5-ethenyl-2-(1-ethoxyprop-1-enyl)-1,3-thiazole

5-ethenyl-2-(1-ethoxyprop-1-enyl)-1,3-thiazole (PubChem CID 138976937) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 5-ethenyl-2-(1-ethoxyprop-1-enyl)-1,3-thiazole.

Molecular Properties

Compound Name5-ethenyl-2-(1-ethoxyprop-1-enyl)-1,3-thiazole
PubChem CID138976937
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name5-ethenyl-2-(1-ethoxyprop-1-enyl)-1,3-thiazole
SMILESC=Cc1cnc(C(=CC)OCC)s1
InChIInChI=1S/C10H13NOS/c1-4-8-7-11-10(13-8)9(5-2)12-6-3/h4-5,7H,1,6H2,2-3H3
InChIKeyVVPVMCQBYTWURV-UHFFFAOYSA-N
XLogP3.18
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-(1-ethoxyprop-1-enyl)-1,3-thiazole?
The IUPAC name of 5-ethenyl-2-(1-ethoxyprop-1-enyl)-1,3-thiazole (CID 138976937) is 5-ethenyl-2-(1-ethoxyprop-1-enyl)-1,3-thiazole.
What is the SMILES notation for 5-ethenyl-2-(1-ethoxyprop-1-enyl)-1,3-thiazole?
The canonical SMILES for 5-ethenyl-2-(1-ethoxyprop-1-enyl)-1,3-thiazole is C=Cc1cnc(C(=CC)OCC)s1.
What is the InChIKey of 5-ethenyl-2-(1-ethoxyprop-1-enyl)-1,3-thiazole?
The InChIKey is VVPVMCQBYTWURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-4-8-7-11-10(13-8)9(5-2)12-6-3/h4-5,7H,1,6H2,2-3H3.
What are the key properties of 5-ethenyl-2-(1-ethoxyprop-1-enyl)-1,3-thiazole?
5-ethenyl-2-(1-ethoxyprop-1-enyl)-1,3-thiazole has a molecular weight of 195.29 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-(1-ethoxyprop-1-enyl)-1,3-thiazole is sourced from PubChem (CID 138976937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).