4-(4-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide

C13H15N3O2S — CID 649235

IUPAC4-(4-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide
SMILESCc1ccc(OCCCC(=O)Nc2nncs2)cc1
InChIInChI=1S/C13H15N3O2S/c1-10-4-6-11(7-5-10)18-8-2-3-12(17)15-13-16-14-9-19-13/h4-7,9H,2-3,8H2,1H3,(H,15,16,17)
InChIKeyQXGKTCLCCWAIRH-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.64
Rot. Bonds6

About 4-(4-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide

4-(4-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 649235) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-(4-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(4-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide
PubChem CID649235
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name4-(4-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide
SMILESCc1ccc(OCCCC(=O)Nc2nncs2)cc1
InChIInChI=1S/C13H15N3O2S/c1-10-4-6-11(7-5-10)18-8-2-3-12(17)15-13-16-14-9-19-13/h4-7,9H,2-3,8H2,1H3,(H,15,16,17)
InChIKeyQXGKTCLCCWAIRH-UHFFFAOYSA-N
XLogP2.64
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(2-methylbutan-2-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 2072136
4-(4-methylphenoxy)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 19218777
4-(4-methylphenoxy)-N-(4-methyl-2-pyridinyl)butanamide
CID 51188569
3-(4-methylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 35865418
4-(4-methylphenoxy)-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 19218778
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 7915421
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 19218771
N'-methyl-4-(4-methylphenoxy)butanehydrazide
CID 116820718
4-(4-methoxyphenyl)-4-oxo-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 49024048
N-(6-chloro-1,3-benzothiazol-2-yl)-4-(4-methylphenoxy)butanamide
CID 108761854
4-(4-ethoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 3343017
N-methyl-5-(4-methylphenoxy)pentanamide
CID 134582282

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 4-(4-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide (CID 649235) is 4-(4-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 4-(4-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 4-(4-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide is Cc1ccc(OCCCC(=O)Nc2nncs2)cc1.
What is the InChIKey of 4-(4-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is QXGKTCLCCWAIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-10-4-6-11(7-5-10)18-8-2-3-12(17)15-13-16-14-9-19-13/h4-7,9H,2-3,8H2,1H3,(H,15,16,17).
What are the key properties of 4-(4-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide?
4-(4-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 277.35 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 649235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).