N-(2-methoxyphenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide

C16H20N4O3S — CID 939272

IUPACN-(2-methoxyphenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCCCc1nnc(NC(=O)CCC(=O)Nc2ccccc2OC)s1
InChIInChI=1S/C16H20N4O3S/c1-3-6-15-19-20-16(24-15)18-14(22)10-9-13(21)17-11-7-4-5-8-12(11)23-2/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,17,21)(H,18,20,22)
InChIKeyRTKGQIQQYLIPRK-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.86
Rot. Bonds8

About N-(2-methoxyphenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide

N-(2-methoxyphenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide (PubChem CID 939272) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
PubChem CID939272
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-(2-methoxyphenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide
SMILESCCCc1nnc(NC(=O)CCC(=O)Nc2ccccc2OC)s1
InChIInChI=1S/C16H20N4O3S/c1-3-6-15-19-20-16(24-15)18-14(22)10-9-13(21)17-11-7-4-5-8-12(11)23-2/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,17,21)(H,18,20,22)
InChIKeyRTKGQIQQYLIPRK-UHFFFAOYSA-N
XLogP2.86
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-Ethoxy-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid (5-ethyl-[1,3,4]thiadiazol-2-yl)-amide
CID 6494528
N1-(2,5-dimethoxyphenyl)-N4-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)succinamide
CID 663499
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-N'-(4-methoxyphenyl)urea
CID 3238317
1-(4-Methoxyphenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 4622855
N-(4-methoxyphenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 4622858
1-(2-Methoxyphenyl)-3-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 1965168
1-(2-Methoxyphenyl)-3-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]urea
CID 2895799
Pyrrolidine-1,2-dicarboxylic acid 2-[(5-ethyl-[1,3,4]thiadiazol-2-yl)-amide] 1-[(2-methoxy-phenyl)-amide]
CID 648805
Pyrrolidine-1,2-dicarboxylic acid 2-[(5-isopropyl-[1,3,4]thiadiazol-2-yl)-amide] 1-[(2-methoxy-phenyl)-amide]
CID 652135
1-(4-Methoxyphenyl)-3-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 659530
1-(2-methoxyphenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
CID 660721
1-(4-Ethoxyphenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 881180

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide?
The IUPAC name of N-(2-methoxyphenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide (CID 939272) is N-(2-methoxyphenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide?
The canonical SMILES for N-(2-methoxyphenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide is CCCc1nnc(NC(=O)CCC(=O)Nc2ccccc2OC)s1.
What is the InChIKey of N-(2-methoxyphenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide?
The InChIKey is RTKGQIQQYLIPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-3-6-15-19-20-16(24-15)18-14(22)10-9-13(21)17-11-7-4-5-8-12(11)23-2/h4-5,7-8H,3,6,9-10H2,1-2H3,(H,17,21)(H,18,20,22).
What are the key properties of N-(2-methoxyphenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide?
N-(2-methoxyphenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide has a molecular weight of 348.43 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N'-(5-propyl-1,3,4-thiadiazol-2-yl)butanediamide is sourced from PubChem (CID 939272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).