N-(3-methyl-1,3-thiazol-2-ylidene)butanamide

C8H12N2OS — CID 14442047

IUPACN-(3-methyl-1,3-thiazol-2-ylidene)butanamide
SMILESCCCC(=O)/N=c1\sccn1C
InChIInChI=1S/C8H12N2OS/c1-3-4-7(11)9-8-10(2)5-6-12-8/h5-6H,3-4H2,1-2H3/b9-8-
InChIKeySTZMGOXYQIRWBV-HJWRWDBZSA-N
MW184.26 g/mol
LogP1.31
Rot. Bonds2

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

N-(3-methyl-1,3-thiazol-2-ylidene)butanamide (PubChem CID 14442047) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is N-(3-methyl-1,3-thiazol-2-ylidene)butanamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-thiazol-2-ylidene)butanamide
PubChem CID14442047
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC NameN-(3-methyl-1,3-thiazol-2-ylidene)butanamide
SMILESCCCC(=O)/N=c1\sccn1C
InChIInChI=1S/C8H12N2OS/c1-3-4-7(11)9-8-10(2)5-6-12-8/h5-6H,3-4H2,1-2H3/b9-8-
InChIKeySTZMGOXYQIRWBV-HJWRWDBZSA-N
XLogP1.31
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)butanamide?
The IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)butanamide (CID 14442047) is N-(3-methyl-1,3-thiazol-2-ylidene)butanamide.
What is the SMILES notation for N-(3-methyl-1,3-thiazol-2-ylidene)butanamide?
The canonical SMILES for N-(3-methyl-1,3-thiazol-2-ylidene)butanamide is CCCC(=O)/N=c1\sccn1C.
What is the InChIKey of N-(3-methyl-1,3-thiazol-2-ylidene)butanamide?
The InChIKey is STZMGOXYQIRWBV-HJWRWDBZSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-3-4-7(11)9-8-10(2)5-6-12-8/h5-6H,3-4H2,1-2H3/b9-8-.
What are the key properties of N-(3-methyl-1,3-thiazol-2-ylidene)butanamide?
N-(3-methyl-1,3-thiazol-2-ylidene)butanamide has a molecular weight of 184.26 g/mol, XLogP of 1.31, 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)butanamide is sourced from PubChem (CID 14442047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).