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

C12H13N3OS — CID 4182320

IUPAC2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCC(C)C(=O)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C12H13N3OS/c1-8(2)11(16)14-12-13-10(15-17-12)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,13,14,15,16)
InChIKeyBFUDICCSMDKIHZ-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.80
Rot. Bonds3

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

2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide (PubChem CID 4182320) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
PubChem CID4182320
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
SMILESCC(C)C(=O)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C12H13N3OS/c1-8(2)11(16)14-12-13-10(15-17-12)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,13,14,15,16)
InChIKeyBFUDICCSMDKIHZ-UHFFFAOYSA-N
XLogP2.80
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-methoxyphenoxy)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 35041836
(3-phenyl-1,2,4-thiadiazol-5-yl)carbamothioic S-acid
CID 135291997
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylpropanamide
CID 17013841
1-phenyl-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 10803880
2-methyl-3-[methyl-[(3-phenyl-1,2,4-thiadiazol-5-yl)carbamoyl]amino]propanoic acid
CID 122076890
4-N,4-N-dimethyl-1-N-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1,4-dicarboxamide
CID 46984995
2-(4-chlorophenyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 17013300
3-[(3-phenyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-N-propan-2-ylbutanamide
CID 91643650
(2S)-2-(2-methoxyphenoxy)-N-[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]propanamide
CID 42414813
N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexanecarboxamide
CID 10637031
N-(3-phenyl-1,2,4-thiadiazol-5-yl)thiophene-2-carboxamide
CID 972595
2,6-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide
CID 48739001

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide?
The IUPAC name of 2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide (CID 4182320) is 2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide?
The canonical SMILES for 2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide is CC(C)C(=O)Nc1nc(-c2ccccc2)ns1.
What is the InChIKey of 2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide?
The InChIKey is BFUDICCSMDKIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8(2)11(16)14-12-13-10(15-17-12)9-6-4-3-5-7-9/h3-8H,1-2H3,(H,13,14,15,16).
What are the key properties of 2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide?
2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide has a molecular weight of 247.32 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide is sourced from PubChem (CID 4182320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).