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

C15H19N3OS — CID 3254349

IUPAC2-methyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCCC(C)C(=O)Nc1nnc(CCc2ccccc2)s1
InChIInChI=1S/C15H19N3OS/c1-3-11(2)14(19)16-15-18-17-13(20-15)10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,16,18,19)
InChIKeyHCAOQMDAQMLEMS-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.31
Rot. Bonds6

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

2-methyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide (PubChem CID 3254349) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-methyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide
PubChem CID3254349
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-methyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCCC(C)C(=O)Nc1nnc(CCc2ccccc2)s1
InChIInChI=1S/C15H19N3OS/c1-3-11(2)14(19)16-15-18-17-13(20-15)10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,16,18,19)
InChIKeyHCAOQMDAQMLEMS-UHFFFAOYSA-N
XLogP3.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
N-(5-Ethyl-[1,3,4]thiadiazol-2-yl)-2-phenylmethanesulfonyl-acetamide
CID 1091332
3-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]but-2-enamide
CID 1451472
3-ethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
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
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-Isopropyl-[1,3,4]thiadiazol-2-yl)-3-phenylmethanesulfonyl-propionamide
CID 6488988
N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide;hydrochloride
CID 23724219

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide?
The IUPAC name of 2-methyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide (CID 3254349) is 2-methyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide.
What is the SMILES notation for 2-methyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide?
The canonical SMILES for 2-methyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide is CCC(C)C(=O)Nc1nnc(CCc2ccccc2)s1.
What is the InChIKey of 2-methyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide?
The InChIKey is HCAOQMDAQMLEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-11(2)14(19)16-15-18-17-13(20-15)10-9-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,16,18,19).
What are the key properties of 2-methyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide?
2-methyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide has a molecular weight of 289.40 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide is sourced from PubChem (CID 3254349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).