N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide

C16H20N4O3S — CID 934244

IUPACN'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide
SMILESCCc1nnc(NC(=O)CCC(=O)Nc2cc(C)ccc2OC)s1
InChIInChI=1S/C16H20N4O3S/c1-4-15-19-20-16(24-15)18-14(22)8-7-13(21)17-11-9-10(2)5-6-12(11)23-3/h5-6,9H,4,7-8H2,1-3H3,(H,17,21)(H,18,20,22)
InChIKeyFNJCKHVKQWNXMD-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.77
Rot. Bonds7

About N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide

N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide (PubChem CID 934244) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide.

Molecular Properties

Compound NameN'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide
PubChem CID934244
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide
SMILESCCc1nnc(NC(=O)CCC(=O)Nc2cc(C)ccc2OC)s1
InChIInChI=1S/C16H20N4O3S/c1-4-15-19-20-16(24-15)18-14(22)8-7-13(21)17-11-9-10(2)5-6-12(11)23-3/h5-6,9H,4,7-8H2,1-3H3,(H,17,21)(H,18,20,22)
InChIKeyFNJCKHVKQWNXMD-UHFFFAOYSA-N
XLogP2.77
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxy-5-methylphenyl)acetamide
CID 9192627
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
4-amino-N-(2-methoxy-5-methylphenyl)-4-sulfanylidenebutanamide
CID 94270072
N-(2-methoxy-5-methylphenyl)dodecanamide
CID 4196048
ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
CID 54787271
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 4628738
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 881043
3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2684730
N-[6-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289506
N-(2-bromo-4-methylphenyl)-N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]butanediamide
CID 4646070
ethane;(2-methoxy-5-methylphenyl)urea
CID 142042876

Frequently Asked Questions

What is the IUPAC name of N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide?
The IUPAC name of N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide (CID 934244) is N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide.
What is the SMILES notation for N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide?
The canonical SMILES for N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide is CCc1nnc(NC(=O)CCC(=O)Nc2cc(C)ccc2OC)s1.
What is the InChIKey of N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide?
The InChIKey is FNJCKHVKQWNXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-4-15-19-20-16(24-15)18-14(22)8-7-13(21)17-11-9-10(2)5-6-12(11)23-3/h5-6,9H,4,7-8H2,1-3H3,(H,17,21)(H,18,20,22).
What are the key properties of N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide?
N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide has a molecular weight of 348.43 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-ethyl-1,3,4-thiadiazol-2-yl)-N-(2-methoxy-5-methylphenyl)butanediamide is sourced from PubChem (CID 934244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).