N-(3-methyl-1,3-thiazol-2-ylidene)but-3-enamide

C8H10N2OS — CID 91271821

IUPACN-(3-methyl-1,3-thiazol-2-ylidene)but-3-enamide
SMILESC=CCC(=O)/N=c1\sccn1C
InChIInChI=1S/C8H10N2OS/c1-3-4-7(11)9-8-10(2)5-6-12-8/h3,5-6H,1,4H2,2H3/b9-8-
InChIKeyDJMQWPGBIBBHEC-HJWRWDBZSA-N
MW182.25 g/mol
LogP1.09
Rot. Bonds2

About N-(3-methyl-1,3-thiazol-2-ylidene)but-3-enamide

N-(3-methyl-1,3-thiazol-2-ylidene)but-3-enamide (PubChem CID 91271821) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is N-(3-methyl-1,3-thiazol-2-ylidene)but-3-enamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-thiazol-2-ylidene)but-3-enamide
PubChem CID91271821
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC NameN-(3-methyl-1,3-thiazol-2-ylidene)but-3-enamide
SMILESC=CCC(=O)/N=c1\sccn1C
InChIInChI=1S/C8H10N2OS/c1-3-4-7(11)9-8-10(2)5-6-12-8/h3,5-6H,1,4H2,2H3/b9-8-
InChIKeyDJMQWPGBIBBHEC-HJWRWDBZSA-N
XLogP1.09
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)but-3-enamide?
The IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)but-3-enamide (CID 91271821) is N-(3-methyl-1,3-thiazol-2-ylidene)but-3-enamide.
What is the SMILES notation for N-(3-methyl-1,3-thiazol-2-ylidene)but-3-enamide?
The canonical SMILES for N-(3-methyl-1,3-thiazol-2-ylidene)but-3-enamide is C=CCC(=O)/N=c1\sccn1C.
What is the InChIKey of N-(3-methyl-1,3-thiazol-2-ylidene)but-3-enamide?
The InChIKey is DJMQWPGBIBBHEC-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-3-4-7(11)9-8-10(2)5-6-12-8/h3,5-6H,1,4H2,2H3/b9-8-.
What are the key properties of N-(3-methyl-1,3-thiazol-2-ylidene)but-3-enamide?
N-(3-methyl-1,3-thiazol-2-ylidene)but-3-enamide has a molecular weight of 182.25 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-thiazol-2-ylidene)but-3-enamide is sourced from PubChem (CID 91271821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).