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

C9H12N2OS — CID 130668129

IUPAC3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)but-2-enamide
SMILESCC(C)=CC(=O)/N=c1\sccn1C
InChIInChI=1S/C9H12N2OS/c1-7(2)6-8(12)10-9-11(3)4-5-13-9/h4-6H,1-3H3/b10-9-
InChIKeyGJWJVPLSZSDTDD-KTKRTIGZSA-N
MW196.27 g/mol
LogP1.48
Rot. Bonds1

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

3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)but-2-enamide (PubChem CID 130668129) has the molecular formula C9H12N2OS and a molecular weight of 196.27 g/mol. Its IUPAC name is 3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)but-2-enamide.

Molecular Properties

Compound Name3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)but-2-enamide
PubChem CID130668129
Molecular FormulaC9H12N2OS
Molecular Weight196.27 g/mol
Exact Mass196.07
IUPAC Name3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)but-2-enamide
SMILESCC(C)=CC(=O)/N=c1\sccn1C
InChIInChI=1S/C9H12N2OS/c1-7(2)6-8(12)10-9-11(3)4-5-13-9/h4-6H,1-3H3/b10-9-
InChIKeyGJWJVPLSZSDTDD-KTKRTIGZSA-N
XLogP1.48
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)but-2-enamide?
The IUPAC name of 3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)but-2-enamide (CID 130668129) is 3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)but-2-enamide.
What is the SMILES notation for 3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)but-2-enamide?
The canonical SMILES for 3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)but-2-enamide is CC(C)=CC(=O)/N=c1\sccn1C.
What is the InChIKey of 3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)but-2-enamide?
The InChIKey is GJWJVPLSZSDTDD-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H12N2OS/c1-7(2)6-8(12)10-9-11(3)4-5-13-9/h4-6H,1-3H3/b10-9-.
What are the key properties of 3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)but-2-enamide?
3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)but-2-enamide has a molecular weight of 196.27 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)but-2-enamide is sourced from PubChem (CID 130668129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).