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

C16H21N3OS — CID 17320712

IUPAC2-methyl-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCCC(C)C(=O)Nc1nnc(CC(C)c2ccccc2)s1
InChIInChI=1S/C16H21N3OS/c1-4-11(2)15(20)17-16-19-18-14(21-16)10-12(3)13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H,17,19,20)
InChIKeyGEGJGUCPZGBNBT-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.87
Rot. Bonds6

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

2-methyl-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide (PubChem CID 17320712) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-methyl-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
PubChem CID17320712
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-methyl-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
SMILESCCC(C)C(=O)Nc1nnc(CC(C)c2ccccc2)s1
InChIInChI=1S/C16H21N3OS/c1-4-11(2)15(20)17-16-19-18-14(21-16)10-12(3)13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H,17,19,20)
InChIKeyGEGJGUCPZGBNBT-UHFFFAOYSA-N
XLogP3.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[5-(2-phenylpropyl)-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-phenoxy-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 17321307
4-(2-ethylbutanoylamino)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17321708
(2R)-2-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 1451460
2-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenylacetamide
CID 119264571
ethane;2-methyl-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 165141037
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methylbutanamide
CID 132962669
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-phenylpropanamide
CID 103807918
(3S)-5-oxo-N-[5-[(2S)-2-phenylpropyl]-1,3,4-thiadiazol-2-yl]-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9402271
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,2-diphenylacetamide
CID 5040744
3-chloro-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 106260360
N-[5-[(2S)-2-phenylpropyl]-1,3,4-thiadiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 40965609
2-methyl-N-[5-[2-[2-[5-(2-methylbutanoylamino)-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]butanamide
CID 74982466

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide?
The IUPAC name of 2-methyl-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide (CID 17320712) is 2-methyl-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide.
What is the SMILES notation for 2-methyl-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide?
The canonical SMILES for 2-methyl-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide is CCC(C)C(=O)Nc1nnc(CC(C)c2ccccc2)s1.
What is the InChIKey of 2-methyl-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide?
The InChIKey is GEGJGUCPZGBNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-4-11(2)15(20)17-16-19-18-14(21-16)10-12(3)13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H,17,19,20).
What are the key properties of 2-methyl-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide?
2-methyl-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide has a molecular weight of 303.43 g/mol, XLogP of 3.87, 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-phenylpropyl)-1,3,4-thiadiazol-2-yl]butanamide is sourced from PubChem (CID 17320712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).