N-tert-butyl-N-methyl-5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentanamide

C20H28N4O2S — CID 71460810

IUPACN-tert-butyl-N-methyl-5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentanamide
SMILESCN(C(=O)CCCCc1nnc(NC(=O)Cc2ccccc2)s1)C(C)(C)C
InChIInChI=1S/C20H28N4O2S/c1-20(2,3)24(4)18(26)13-9-8-12-17-22-23-19(27-17)21-16(25)14-15-10-6-5-7-11-15/h5-7,10-11H,8-9,12-14H2,1-4H3,(H,21,23,25)
InChIKeyOEBNSRGPLHSTFC-UHFFFAOYSA-N
MW388.54 g/mol
LogP3.69
Rot. Bonds8

About N-tert-butyl-N-methyl-5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentanamide

N-tert-butyl-N-methyl-5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentanamide (PubChem CID 71460810) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is N-tert-butyl-N-methyl-5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentanamide.

Molecular Properties

Compound NameN-tert-butyl-N-methyl-5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentanamide
PubChem CID71460810
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC NameN-tert-butyl-N-methyl-5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentanamide
SMILESCN(C(=O)CCCCc1nnc(NC(=O)Cc2ccccc2)s1)C(C)(C)C
InChIInChI=1S/C20H28N4O2S/c1-20(2,3)24(4)18(26)13-9-8-12-17-22-23-19(27-17)21-16(25)14-15-10-6-5-7-11-15/h5-7,10-11H,8-9,12-14H2,1-4H3,(H,21,23,25)
InChIKeyOEBNSRGPLHSTFC-UHFFFAOYSA-N
XLogP3.69
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-tert-butyl-N-methyl-5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methyl-5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentanamide?
The IUPAC name of N-tert-butyl-N-methyl-5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentanamide (CID 71460810) is N-tert-butyl-N-methyl-5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentanamide.
What is the SMILES notation for N-tert-butyl-N-methyl-5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentanamide?
The canonical SMILES for N-tert-butyl-N-methyl-5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentanamide is CN(C(=O)CCCCc1nnc(NC(=O)Cc2ccccc2)s1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-methyl-5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentanamide?
The InChIKey is OEBNSRGPLHSTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-20(2,3)24(4)18(26)13-9-8-12-17-22-23-19(27-17)21-16(25)14-15-10-6-5-7-11-15/h5-7,10-11H,8-9,12-14H2,1-4H3,(H,21,23,25).
What are the key properties of N-tert-butyl-N-methyl-5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentanamide?
N-tert-butyl-N-methyl-5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentanamide has a molecular weight of 388.54 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methyl-5-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]pentanamide is sourced from PubChem (CID 71460810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).