(2R)-2-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide

C17H16N4OS — CID 1245081

IUPAC(2R)-2-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCC[C@@H](C(=O)Nc1nnc(-c2ccncc2)s1)c1ccccc1
InChIInChI=1S/C17H16N4OS/c1-2-14(12-6-4-3-5-7-12)15(22)19-17-21-20-16(23-17)13-8-10-18-11-9-13/h3-11,14H,2H2,1H3,(H,19,21,22)/t14-/m1/s1
InChIKeyAADQDOVXNOIIGA-CQSZACIVSA-N
MW324.41 g/mol
LogP3.73
Rot. Bonds5

About (2R)-2-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide

(2R)-2-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 1245081) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is (2R)-2-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID1245081
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name(2R)-2-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCC[C@@H](C(=O)Nc1nnc(-c2ccncc2)s1)c1ccccc1
InChIInChI=1S/C17H16N4OS/c1-2-14(12-6-4-3-5-7-12)15(22)19-17-21-20-16(23-17)13-8-10-18-11-9-13/h3-11,14H,2H2,1H3,(H,19,21,22)/t14-/m1/s1
InChIKeyAADQDOVXNOIIGA-CQSZACIVSA-N
XLogP3.73
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(2S)-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]-2-phenylbutanamide
CID 7398333
(2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 1451460
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-methyl-2-(2-phenylbutanoylamino)pentanamide
CID 3959404
2-(diethylamino)-2-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 56553192
N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
CID 3430274
(2R)-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
CID 26205265
(2R)-N-[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
CID 2218642
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
CID 2972072
(2S)-2-phenyl-N-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butanamide
CID 51607018
ethane;2-methyl-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 165141037
2-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2888884
2-chloro-2-fluoro-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 167882589

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of (2R)-2-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide (CID 1245081) is (2R)-2-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for (2R)-2-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for (2R)-2-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide is CC[C@@H](C(=O)Nc1nnc(-c2ccncc2)s1)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is AADQDOVXNOIIGA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-2-14(12-6-4-3-5-7-12)15(22)19-17-21-20-16(23-17)13-8-10-18-11-9-13/h3-11,14H,2H2,1H3,(H,19,21,22)/t14-/m1/s1.
What are the key properties of (2R)-2-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide?
(2R)-2-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 324.41 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 1245081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).