2-(4-cyanoanilino)-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide

C19H17N5OS — CID 48627204

IUPAC2-(4-cyanoanilino)-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1ccc(-c2nnc(NC(=O)CNc3ccc(C#N)cc3)s2)c(C)c1
InChIInChI=1S/C19H17N5OS/c1-12-3-8-16(13(2)9-12)18-23-24-19(26-18)22-17(25)11-21-15-6-4-14(10-20)5-7-15/h3-9,21H,11H2,1-2H3,(H,22,24,25)
InChIKeyUOJAIGBMUYOEIS-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.74
Rot. Bonds5

About 2-(4-cyanoanilino)-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide

2-(4-cyanoanilino)-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 48627204) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 2-(4-cyanoanilino)-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-cyanoanilino)-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID48627204
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name2-(4-cyanoanilino)-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1ccc(-c2nnc(NC(=O)CNc3ccc(C#N)cc3)s2)c(C)c1
InChIInChI=1S/C19H17N5OS/c1-12-3-8-16(13(2)9-12)18-23-24-19(26-18)22-17(25)11-21-15-6-4-14(10-20)5-7-15/h3-9,21H,11H2,1-2H3,(H,22,24,25)
InChIKeyUOJAIGBMUYOEIS-UHFFFAOYSA-N
XLogP3.74
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(4-cyanoanilino)-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 26437501
N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 48585499
2-amino-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-3-methoxypropanamide
CID 120987607
2-(4-cyanoanilino)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 26507789
N-(4-cyanophenyl)-3-(2,4-dimethylanilino)propanamide
CID 109035242
N-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide
CID 9098665
N-(5-benzyl-1,3-thiazol-2-yl)-2-(4-cyanoanilino)acetamide
CID 51111804
(2R)-N-(4-cyanophenyl)-2-[[5-(2,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 7825113
N-carbamoyl-2-(4-cyanoanilino)acetamide
CID 26507718
3-(4-cyanophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 41499605
N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-ethylbenzotriazole-5-carboxamide
CID 48585600
2,5-dichloro-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]pyridine-4-carboxamide
CID 99626923

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanoanilino)-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-cyanoanilino)-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 48627204) is 2-(4-cyanoanilino)-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-cyanoanilino)-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-cyanoanilino)-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide is Cc1ccc(-c2nnc(NC(=O)CNc3ccc(C#N)cc3)s2)c(C)c1.
What is the InChIKey of 2-(4-cyanoanilino)-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is UOJAIGBMUYOEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-12-3-8-16(13(2)9-12)18-23-24-19(26-18)22-17(25)11-21-15-6-4-14(10-20)5-7-15/h3-9,21H,11H2,1-2H3,(H,22,24,25).
What are the key properties of 2-(4-cyanoanilino)-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(4-cyanoanilino)-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 363.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanoanilino)-N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 48627204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).