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

C14H10FN3O2S2 — CID 665376

IUPACN-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nnc(COc2ccc(F)cc2)s1)c1cccs1
InChIInChI=1S/C14H10FN3O2S2/c15-9-3-5-10(6-4-9)20-8-12-17-18-14(22-12)16-13(19)11-2-1-7-21-11/h1-7H,8H2,(H,16,18,19)
InChIKeyQFTBWWGNTOZKCL-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.57
Rot. Bonds5

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

N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide (PubChem CID 665376) has the molecular formula C14H10FN3O2S2 and a molecular weight of 335.39 g/mol. Its IUPAC name is N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
PubChem CID665376
Molecular FormulaC14H10FN3O2S2
Molecular Weight335.39 g/mol
Exact Mass335.02
IUPAC NameN-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
SMILESO=C(Nc1nnc(COc2ccc(F)cc2)s1)c1cccs1
InChIInChI=1S/C14H10FN3O2S2/c15-9-3-5-10(6-4-9)20-8-12-17-18-14(22-12)16-13(19)11-2-1-7-21-11/h1-7H,8H2,(H,16,18,19)
InChIKeyQFTBWWGNTOZKCL-UHFFFAOYSA-N
XLogP3.57
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[(4-fluorophenoxy)methyl]-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

Related Compounds

N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 744744
N-(5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 809029
N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide
CID 2201266
N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(2-thienyl)acetamide
CID 838732
N-{5-[(4-ethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2-thiophenecarboxamide
CID 878432
3-ethoxy-N-[5-(2-thienyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 878458
N-[(2Z)-5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2(3H)-ylidene]thiophene-2-carboxamide
CID 921617
N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]-2-thiophenecarboxamide
CID 1086855
N-[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 806181
N-{5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2-(2-thienyl)acetamide
CID 4184856
N-(5-{2-[(4-methoxyphenyl)sulfonyl]ethyl}-1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide
CID 4401026
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 809027

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide (CID 665376) is N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide is O=C(Nc1nnc(COc2ccc(F)cc2)s1)c1cccs1.
What is the InChIKey of N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is QFTBWWGNTOZKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2S2/c15-9-3-5-10(6-4-9)20-8-12-17-18-14(22-12)16-13(19)11-2-1-7-21-11/h1-7H,8H2,(H,16,18,19).
What are the key properties of N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 335.39 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 665376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).