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

C10H16N2OS — CID 112794711

IUPACN-(3-methyl-1,3-thiazol-2-ylidene)hexanamide
SMILESCCCCCC(=O)/N=c1\sccn1C
InChIInChI=1S/C10H16N2OS/c1-3-4-5-6-9(13)11-10-12(2)7-8-14-10/h7-8H,3-6H2,1-2H3/b11-10-
InChIKeyIMGDDYSZINMBTH-KHPPLWFESA-N
MW212.32 g/mol
LogP2.09
Rot. Bonds4

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

N-(3-methyl-1,3-thiazol-2-ylidene)hexanamide (PubChem CID 112794711) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-(3-methyl-1,3-thiazol-2-ylidene)hexanamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-thiazol-2-ylidene)hexanamide
PubChem CID112794711
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-(3-methyl-1,3-thiazol-2-ylidene)hexanamide
SMILESCCCCCC(=O)/N=c1\sccn1C
InChIInChI=1S/C10H16N2OS/c1-3-4-5-6-9(13)11-10-12(2)7-8-14-10/h7-8H,3-6H2,1-2H3/b11-10-
InChIKeyIMGDDYSZINMBTH-KHPPLWFESA-N
XLogP2.09
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)hexanamide?
The IUPAC name of N-(3-methyl-1,3-thiazol-2-ylidene)hexanamide (CID 112794711) is N-(3-methyl-1,3-thiazol-2-ylidene)hexanamide.
What is the SMILES notation for N-(3-methyl-1,3-thiazol-2-ylidene)hexanamide?
The canonical SMILES for N-(3-methyl-1,3-thiazol-2-ylidene)hexanamide is CCCCCC(=O)/N=c1\sccn1C.
What is the InChIKey of N-(3-methyl-1,3-thiazol-2-ylidene)hexanamide?
The InChIKey is IMGDDYSZINMBTH-KHPPLWFESA-N. The full InChI is InChI=1S/C10H16N2OS/c1-3-4-5-6-9(13)11-10-12(2)7-8-14-10/h7-8H,3-6H2,1-2H3/b11-10-.
What are the key properties of N-(3-methyl-1,3-thiazol-2-ylidene)hexanamide?
N-(3-methyl-1,3-thiazol-2-ylidene)hexanamide has a molecular weight of 212.32 g/mol, XLogP of 2.09, 4 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)hexanamide is sourced from PubChem (CID 112794711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).