5-(2,2-dimethylpropanoylamino)-3-methyl-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide

C22H26N4O2S2 — CID 86896492

IUPAC5-(2,2-dimethylpropanoylamino)-3-methyl-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1nnc(C(C)(C)c2ccccc2)s1
InChIInChI=1S/C22H26N4O2S2/c1-13-12-15(23-18(28)21(2,3)4)29-16(13)17(27)24-20-26-25-19(30-20)22(5,6)14-10-8-7-9-11-14/h7-12H,1-6H3,(H,23,28)(H,24,26,27)
InChIKeyWZJAOOHBLNWOPC-UHFFFAOYSA-N
MW442.61 g/mol
LogP5.47
Rot. Bonds5

About 5-(2,2-dimethylpropanoylamino)-3-methyl-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide

5-(2,2-dimethylpropanoylamino)-3-methyl-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide (PubChem CID 86896492) has the molecular formula C22H26N4O2S2 and a molecular weight of 442.61 g/mol. Its IUPAC name is 5-(2,2-dimethylpropanoylamino)-3-methyl-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2,2-dimethylpropanoylamino)-3-methyl-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
PubChem CID86896492
Molecular FormulaC22H26N4O2S2
Molecular Weight442.61 g/mol
Exact Mass442.15
IUPAC Name5-(2,2-dimethylpropanoylamino)-3-methyl-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1nnc(C(C)(C)c2ccccc2)s1
InChIInChI=1S/C22H26N4O2S2/c1-13-12-15(23-18(28)21(2,3)4)29-16(13)17(27)24-20-26-25-19(30-20)22(5,6)14-10-8-7-9-11-14/h7-12H,1-6H3,(H,23,28)(H,24,26,27)
InChIKeyWZJAOOHBLNWOPC-UHFFFAOYSA-N
XLogP5.47
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.61
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(2,2-dimethylpropanoylamino)-3-methyl-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide 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 5-(2,2-dimethylpropanoylamino)-3-methyl-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-(2,2-dimethylpropanoylamino)-3-methyl-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide (CID 86896492) is 5-(2,2-dimethylpropanoylamino)-3-methyl-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(2,2-dimethylpropanoylamino)-3-methyl-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-(2,2-dimethylpropanoylamino)-3-methyl-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide is Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1nnc(C(C)(C)c2ccccc2)s1.
What is the InChIKey of 5-(2,2-dimethylpropanoylamino)-3-methyl-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is WZJAOOHBLNWOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S2/c1-13-12-15(23-18(28)21(2,3)4)29-16(13)17(27)24-20-26-25-19(30-20)22(5,6)14-10-8-7-9-11-14/h7-12H,1-6H3,(H,23,28)(H,24,26,27).
What are the key properties of 5-(2,2-dimethylpropanoylamino)-3-methyl-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
5-(2,2-dimethylpropanoylamino)-3-methyl-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 442.61 g/mol, XLogP of 5.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropanoylamino)-3-methyl-N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 86896492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).