N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-ethoxyphenyl)butanediamide

C20H26N4O3S — CID 1394537

IUPACN'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-ethoxyphenyl)butanediamide
SMILESCCOc1ccccc1NC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C20H26N4O3S/c1-2-27-16-11-7-6-10-15(16)21-17(25)12-13-18(26)22-20-24-23-19(28-20)14-8-4-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H,21,25)(H,22,24,26)
InChIKeyLVLHBFSGQMLASE-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.34
Rot. Bonds8

About N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-ethoxyphenyl)butanediamide

N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-ethoxyphenyl)butanediamide (PubChem CID 1394537) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-ethoxyphenyl)butanediamide.

Molecular Properties

Compound NameN'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-ethoxyphenyl)butanediamide
PubChem CID1394537
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC NameN'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-ethoxyphenyl)butanediamide
SMILESCCOc1ccccc1NC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C20H26N4O3S/c1-2-27-16-11-7-6-10-15(16)21-17(25)12-13-18(26)22-20-24-23-19(28-20)14-8-4-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H,21,25)(H,22,24,26)
InChIKeyLVLHBFSGQMLASE-UHFFFAOYSA-N
XLogP4.34
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.34
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
1-(2-Methoxyphenyl)-3-[5-(1-phenylethyl)-1,3,4-thiadiazol-2-yl]urea
CID 2895799
1-(2-methoxyphenyl)-3-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]urea
CID 660721
N-[(2Z)-5-cyclohexyl-1,3,4-thiadiazol-2(3H)-ylidene]-N'-(4-methoxyphenyl)butanediamide
CID 1402367
1-(4-ethoxyphenyl)-N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 6494514
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6494533
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-acetamide
CID 6603474
3-{5-[Benzyl(methyl)amino]-1,3,4-thiadiazol-2-YL}-1-(2-ethoxyphenyl)urea
CID 16016682
N-(2,4-dimethoxyphenyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1390695
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide
CID 3253725
1-[5-(4-Fluorobenzyl)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea
CID 1939244
N1-(2,5-dimethoxyphenyl)-N4-(5-isopropyl-1,3,4-thiadiazol-2-yl)succinamide
CID 1392412

Frequently Asked Questions

What is the IUPAC name of N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-ethoxyphenyl)butanediamide?
The IUPAC name of N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-ethoxyphenyl)butanediamide (CID 1394537) is N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-ethoxyphenyl)butanediamide.
What is the SMILES notation for N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-ethoxyphenyl)butanediamide?
The canonical SMILES for N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-ethoxyphenyl)butanediamide is CCOc1ccccc1NC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1.
What is the InChIKey of N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-ethoxyphenyl)butanediamide?
The InChIKey is LVLHBFSGQMLASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-2-27-16-11-7-6-10-15(16)21-17(25)12-13-18(26)22-20-24-23-19(28-20)14-8-4-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H,21,25)(H,22,24,26).
What are the key properties of N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-ethoxyphenyl)butanediamide?
N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-ethoxyphenyl)butanediamide has a molecular weight of 402.52 g/mol, XLogP of 4.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(2-ethoxyphenyl)butanediamide is sourced from PubChem (CID 1394537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).