N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide

C11H11N3OS — CID 852345

IUPACN-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCCC(=O)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C11H11N3OS/c1-2-9(15)12-11-13-10(14-16-11)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,13,14,15)
InChIKeyVMLKNOFMFOHRJJ-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.55
Rot. Bonds3

About N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide

N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide (PubChem CID 852345) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
PubChem CID852345
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC NameN-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCCC(=O)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C11H11N3OS/c1-2-9(15)12-11-13-10(14-16-11)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,13,14,15)
InChIKeyVMLKNOFMFOHRJJ-UHFFFAOYSA-N
XLogP2.55
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,4-Thiadiazol-5-amine, 3-phenyl-
CID 28561
N-(3-Phenyl-(1,2,4)thiadiazol-5-yl)-benzamide
CID 2241548
3-(4-Fluorophenyl)-1,2,4-thiadiazol-5-amine
CID 16447293
5-Phenyl-1,2,4-thiadiazol-3-amine
CID 554203
N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 852344
2,2-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 4182197
2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 4182320
N-[3-(4-chlorophenyl)-1,2,4-thiadiazol-5-yl]acetamide
CID 852341
4-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 2241546
1-acetyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)-4-piperidinecarboxamide
CID 2960085
N-(3-phenyl-1,2,4-thiadiazol-5-yl)butanamide
CID 4182319
N,N-dimethyl-3-phenyl-1,2,4-thiadiazol-5-amine
CID 2725972

Frequently Asked Questions

What is the IUPAC name of N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide?
The IUPAC name of N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide (CID 852345) is N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide.
What is the SMILES notation for N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide?
The canonical SMILES for N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide is CCC(=O)Nc1nc(-c2ccccc2)ns1.
What is the InChIKey of N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide?
The InChIKey is VMLKNOFMFOHRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-2-9(15)12-11-13-10(14-16-11)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,13,14,15).
What are the key properties of N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide?
N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide has a molecular weight of 233.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide is sourced from PubChem (CID 852345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).