4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide

C14H15N3O3S — CID 49025371

IUPAC4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C14H15N3O3S/c1-9-16-17-14(21-9)15-13(19)8-7-12(18)10-3-5-11(20-2)6-4-10/h3-6H,7-8H2,1-2H3,(H,15,17,19)
InChIKeyVLNYLADHVLNQTB-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.46
Rot. Bonds6

About 4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide

4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide (PubChem CID 49025371) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
PubChem CID49025371
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)Nc2nnc(C)s2)cc1
InChIInChI=1S/C14H15N3O3S/c1-9-16-17-14(21-9)15-13(19)8-7-12(18)10-3-5-11(20-2)6-4-10/h3-6H,7-8H2,1-2H3,(H,15,17,19)
InChIKeyVLNYLADHVLNQTB-UHFFFAOYSA-N
XLogP2.46
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methoxyphenyl)-4-oxo-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 49024048
3-(4-methoxyphenyl)sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 51277676
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 84560792
[2-(4-methoxyphenyl)-2-oxoethyl] 4-oxo-4-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]butanoate
CID 71912007
prop-2-enyl 2-[[4-(4-methoxyphenyl)-4-oxobutanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108796465
3-(4-methylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 35865418
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxo-4-(4-propan-2-ylphenyl)butanamide
CID 126204764
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxo-4-thiophen-2-ylbutanamide
CID 31265005
N-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 84569328
4-oxo-4-(4-pentoxyphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 30587851
N-[4-(4-fluorophenyl)-5-propyl-1,3-thiazol-2-yl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 126206369
4-(4-ethoxyphenyl)-N-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 126210220

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide (CID 49025371) is 4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide is COc1ccc(C(=O)CCC(=O)Nc2nnc(C)s2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide?
The InChIKey is VLNYLADHVLNQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9-16-17-14(21-9)15-13(19)8-7-12(18)10-3-5-11(20-2)6-4-10/h3-6H,7-8H2,1-2H3,(H,15,17,19).
What are the key properties of 4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide?
4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide has a molecular weight of 305.36 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxobutanamide is sourced from PubChem (CID 49025371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).