N-[[3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide

C20H15N5O2S2 — CID 46334988

IUPACN-[[3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(-c3noc(CNC(=O)c4cccs4)n3)cc12
InChIInChI=1S/C20H15N5O2S2/c1-12-14-10-16(29-20(14)25(23-12)13-6-3-2-4-7-13)18-22-17(27-24-18)11-21-19(26)15-8-5-9-28-15/h2-10H,11H2,1H3,(H,21,26)
InChIKeyISNVPPDVVCCSPF-UHFFFAOYSA-N
MW421.51 g/mol
LogP4.44
Rot. Bonds5

About N-[[3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide

N-[[3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 46334988) has the molecular formula C20H15N5O2S2 and a molecular weight of 421.51 g/mol. Its IUPAC name is N-[[3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
PubChem CID46334988
Molecular FormulaC20H15N5O2S2
Molecular Weight421.51 g/mol
Exact Mass421.07
IUPAC NameN-[[3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
SMILESCc1nn(-c2ccccc2)c2sc(-c3noc(CNC(=O)c4cccs4)n3)cc12
InChIInChI=1S/C20H15N5O2S2/c1-12-14-10-16(29-20(14)25(23-12)13-6-3-2-4-7-13)18-22-17(27-24-18)11-21-19(26)15-8-5-9-28-15/h2-10H,11H2,1H3,(H,21,26)
InChIKeyISNVPPDVVCCSPF-UHFFFAOYSA-N
XLogP4.44
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]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

Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 87043423
3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-phenyl-1,2,4-oxadiazole
CID 50789471
N-[(2-fluorophenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 9107251
N-[2-methyl-1-[3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide
CID 46334983
N-[[3-(3-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
CID 53172668
2-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]ethylcarbamic acid
CID 66819117
N-[(2,4-dimethoxyphenyl)methyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 55577361
3-methyl-N-[7-[(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)amino]heptyl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 3134145
N-(2-amino-2-methylpropyl)-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 119626981
3-methyl-N'-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)-1-phenylthieno[3,2-d]pyrazole-5-carbohydrazide
CID 3226614
3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-5-pyrazin-2-yl-1,2,4-oxadiazole
CID 50789601
N-[2-(ethylamino)ethyl]-3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 119505833

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide (CID 46334988) is N-[[3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide is Cc1nn(-c2ccccc2)c2sc(-c3noc(CNC(=O)c4cccs4)n3)cc12.
What is the InChIKey of N-[[3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is ISNVPPDVVCCSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2S2/c1-12-14-10-16(29-20(14)25(23-12)13-6-3-2-4-7-13)18-22-17(27-24-18)11-21-19(26)15-8-5-9-28-15/h2-10H,11H2,1H3,(H,21,26).
What are the key properties of N-[[3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide?
N-[[3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 421.51 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 46334988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).