2-(4-cyanophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide

C16H18N4O2S — CID 16548045

IUPAC2-(4-cyanophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(C)Cc1nnc(NC(=O)C(C)Oc2ccc(C#N)cc2)s1
InChIInChI=1S/C16H18N4O2S/c1-10(2)8-14-19-20-16(23-14)18-15(21)11(3)22-13-6-4-12(9-17)5-7-13/h4-7,10-11H,8H2,1-3H3,(H,18,20,21)
InChIKeyRERMWTDCAUCQIS-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.01
Rot. Bonds6

About 2-(4-cyanophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide

2-(4-cyanophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 16548045) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID16548045
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name2-(4-cyanophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
SMILESCC(C)Cc1nnc(NC(=O)C(C)Oc2ccc(C#N)cc2)s1
InChIInChI=1S/C16H18N4O2S/c1-10(2)8-14-19-20-16(23-14)18-15(21)11(3)22-13-6-4-12(9-17)5-7-13/h4-7,10-11H,8H2,1-3H3,(H,18,20,21)
InChIKeyRERMWTDCAUCQIS-UHFFFAOYSA-N
XLogP3.01
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-bromophenoxy)-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 16549949
(2S)-2-phenoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 7322515
2-(4-methoxyphenoxy)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide
CID 46508754
4-cyano-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 103740834
(2R)-2-(4-cyanophenoxy)-N-phenylpropanamide
CID 7503300
(2R)-2-(4-bromophenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7346755
(2R)-2-(4-cyanophenoxy)-N-(5-methyl-2-pyridinyl)propanamide
CID 40953055
(2R)-2-(4-cyanophenoxy)-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 30866427
2-(3,4-dimethylphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 43843008
2-cyano-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110459577
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-propanoylphenoxy)acetamide
CID 8750173
(2S)-N-(4-bromophenyl)-2-(4-cyanophenoxy)propanamide
CID 7503268

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide (CID 16548045) is 2-(4-cyanophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide is CC(C)Cc1nnc(NC(=O)C(C)Oc2ccc(C#N)cc2)s1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is RERMWTDCAUCQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-10(2)8-14-19-20-16(23-14)18-15(21)11(3)22-13-6-4-12(9-17)5-7-13/h4-7,10-11H,8H2,1-3H3,(H,18,20,21).
What are the key properties of 2-(4-cyanophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide?
2-(4-cyanophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 330.41 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 16548045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).