2-ethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide

C16H21N3OS — CID 1402671

IUPAC2-ethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCCC(CC)C(=O)Nc1nnc(CCc2ccccc2)s1
InChIInChI=1S/C16H21N3OS/c1-3-13(4-2)15(20)17-16-19-18-14(21-16)11-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H,17,19,20)
InChIKeyXVSSPOTZCSZCQR-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.70
Rot. Bonds7

About 2-ethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide

2-ethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide (PubChem CID 1402671) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-ethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide
PubChem CID1402671
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-ethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCCC(CC)C(=O)Nc1nnc(CCc2ccccc2)s1
InChIInChI=1S/C16H21N3OS/c1-3-13(4-2)15(20)17-16-19-18-14(21-16)11-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H,17,19,20)
InChIKeyXVSSPOTZCSZCQR-UHFFFAOYSA-N
XLogP3.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide 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

2,2-Dimethyl-N-(5-phenethyl-[1,3,4]thiadiazol-2-yl)-propionamide
CID 821488
N-[5-(4-Fluoro-benzylsulfanylmethyl)-[1,3,4]thiadiazol-2-yl]-3-methyl-butyramide
CID 921781
N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 975548
3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]but-2-enamide
CID 1451472
3-Ethoxy-N-(5-phenethyl-[1,3,4]thiadiazol-2-yl)-propionamide
CID 2974277
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 3120394
3-phenyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
CID 3158290
2-methyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 3254349
3,3-dimethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 3979946
N-{5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl}butanamide
CID 6290772
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 6471275
N-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-3-phenylmethanesulfonyl-propionamide
CID 6488988

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide?
The IUPAC name of 2-ethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide (CID 1402671) is 2-ethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide.
What is the SMILES notation for 2-ethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide?
The canonical SMILES for 2-ethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide is CCC(CC)C(=O)Nc1nnc(CCc2ccccc2)s1.
What is the InChIKey of 2-ethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide?
The InChIKey is XVSSPOTZCSZCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-3-13(4-2)15(20)17-16-19-18-14(21-16)11-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H,17,19,20).
What are the key properties of 2-ethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide?
2-ethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide has a molecular weight of 303.43 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide is sourced from PubChem (CID 1402671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).