4,5-dimethyl-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]thiophene-3-carboxamide

C21H24N4O2S — CID 98065276

IUPAC4,5-dimethyl-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]thiophene-3-carboxamide
SMILESCc1scc(C(=O)NCC2CCC(c3nnc(-c4ccccn4)o3)CC2)c1C
InChIInChI=1S/C21H24N4O2S/c1-13-14(2)28-12-17(13)19(26)23-11-15-6-8-16(9-7-15)20-24-25-21(27-20)18-5-3-4-10-22-18/h3-5,10,12,15-16H,6-9,11H2,1-2H3,(H,23,26)
InChIKeyJPHHKVQSWGOYIV-UHFFFAOYSA-N
MW396.52 g/mol
LogP4.51
Rot. Bonds5

About 4,5-dimethyl-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]thiophene-3-carboxamide

4,5-dimethyl-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]thiophene-3-carboxamide (PubChem CID 98065276) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 4,5-dimethyl-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]thiophene-3-carboxamide
PubChem CID98065276
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name4,5-dimethyl-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]thiophene-3-carboxamide
SMILESCc1scc(C(=O)NCC2CCC(c3nnc(-c4ccccn4)o3)CC2)c1C
InChIInChI=1S/C21H24N4O2S/c1-13-14(2)28-12-17(13)19(26)23-11-15-6-8-16(9-7-15)20-24-25-21(27-20)18-5-3-4-10-22-18/h3-5,10,12,15-16H,6-9,11H2,1-2H3,(H,23,26)
InChIKeyJPHHKVQSWGOYIV-UHFFFAOYSA-N
XLogP4.51
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4,5-dimethyl-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]thiophene-3-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 4,5-dimethyl-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]thiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]thiophene-3-carboxamide (CID 98065276) is 4,5-dimethyl-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]thiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]thiophene-3-carboxamide is Cc1scc(C(=O)NCC2CCC(c3nnc(-c4ccccn4)o3)CC2)c1C.
What is the InChIKey of 4,5-dimethyl-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]thiophene-3-carboxamide?
The InChIKey is JPHHKVQSWGOYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-13-14(2)28-12-17(13)19(26)23-11-15-6-8-16(9-7-15)20-24-25-21(27-20)18-5-3-4-10-22-18/h3-5,10,12,15-16H,6-9,11H2,1-2H3,(H,23,26).
What are the key properties of 4,5-dimethyl-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]thiophene-3-carboxamide?
4,5-dimethyl-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]thiophene-3-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[[4-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 98065276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).