N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethylthiadiazole-5-carboxamide

C13H13F2N3O2S — CID 51206150

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H13F2N3O2S/c1-2-10-11(21-18-17-10)12(19)16-7-8-3-5-9(6-4-8)20-13(14)15/h3-6,13H,2,7H2,1H3,(H,16,19)
InChIKeyWEMAZHJXIGSOIF-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.63
Rot. Bonds6

About N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethylthiadiazole-5-carboxamide

N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethylthiadiazole-5-carboxamide (PubChem CID 51206150) has the molecular formula C13H13F2N3O2S and a molecular weight of 313.33 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-4-ethylthiadiazole-5-carboxamide
PubChem CID51206150
Molecular FormulaC13H13F2N3O2S
Molecular Weight313.33 g/mol
Exact Mass313.07
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H13F2N3O2S/c1-2-10-11(21-18-17-10)12(19)16-7-8-3-5-9(6-4-8)20-13(14)15/h3-6,13H,2,7H2,1H3,(H,16,19)
InChIKeyWEMAZHJXIGSOIF-UHFFFAOYSA-N
XLogP2.63
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethylthiadiazole-5-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 N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethylthiadiazole-5-carboxamide (CID 51206150) is N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCc1ccc(OC(F)F)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethylthiadiazole-5-carboxamide?
The InChIKey is WEMAZHJXIGSOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2S/c1-2-10-11(21-18-17-10)12(19)16-7-8-3-5-9(6-4-8)20-13(14)15/h3-6,13H,2,7H2,1H3,(H,16,19).
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethylthiadiazole-5-carboxamide?
N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethylthiadiazole-5-carboxamide has a molecular weight of 313.33 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 51206150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).