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

C22H29N3OS — CID 165141037

IUPACethane;2-methyl-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCC.CC.CC(Cc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C18H17N3OS.2C2H6/c1-13(12-14-8-4-2-5-9-14)16(22)19-18-21-20-17(23-18)15-10-6-3-7-11-15;2*1-2/h2-11,13H,12H2,1H3,(H,19,21,22);2*1-2H3
InChIKeyOKIWNCDQVKUBHK-UHFFFAOYSA-N
MW383.56 g/mol
LogP6.07
Rot. Bonds5

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

ethane;2-methyl-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 165141037) has the molecular formula C22H29N3OS and a molecular weight of 383.56 g/mol. Its IUPAC name is ethane;2-methyl-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Nameethane;2-methyl-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID165141037
Molecular FormulaC22H29N3OS
Molecular Weight383.56 g/mol
Exact Mass383.20
IUPAC Nameethane;2-methyl-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCC.CC.CC(Cc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C18H17N3OS.2C2H6/c1-13(12-14-8-4-2-5-9-14)16(22)19-18-21-20-17(23-18)15-10-6-3-7-11-15;2*1-2/h2-11,13H,12H2,1H3,(H,19,21,22);2*1-2H3
InChIKeyOKIWNCDQVKUBHK-UHFFFAOYSA-N
XLogP6.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.56
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 1451460
(2S)-2-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 7092310
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(propanoylamino)propanamide
CID 3463446
(2R)-2-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 99644111
2-(diethylamino)-2-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 56553192
(2S)-N-[(2S)-1-oxo-1-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]-2-phenylbutanamide
CID 7398333
N-(1,3-benzothiazol-2-yl)-2-methyl-3-phenylpropanamide
CID 57299473
2-(butylcarbamoylamino)-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 42757921
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide
CID 42662158
2-methyl-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 17320712
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(dimethylcarbamoylamino)-3-phenylpropanamide
CID 42662179
2-[(2-bromophenyl)carbamoylamino]-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 5008669

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of ethane;2-methyl-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide (CID 165141037) is ethane;2-methyl-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for ethane;2-methyl-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for ethane;2-methyl-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide is CC.CC.CC(Cc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of ethane;2-methyl-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is OKIWNCDQVKUBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS.2C2H6/c1-13(12-14-8-4-2-5-9-14)16(22)19-18-21-20-17(23-18)15-10-6-3-7-11-15;2*1-2/h2-11,13H,12H2,1H3,(H,19,21,22);2*1-2H3.
What are the key properties of ethane;2-methyl-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide?
ethane;2-methyl-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 383.56 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 165141037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).