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

C14H11N3O2S2 — CID 809027

IUPACN-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3cccs3)s2)cc1
InChIInChI=1S/C14H11N3O2S2/c1-19-10-6-4-9(5-7-10)13-16-17-14(21-13)15-12(18)11-3-2-8-20-11/h2-8H,1H3,(H,15,17,18)
InChIKeyKADBFQFBXPJRGR-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.53
Rot. Bonds4

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

N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide (PubChem CID 809027) has the molecular formula C14H11N3O2S2 and a molecular weight of 317.40 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
PubChem CID809027
Molecular FormulaC14H11N3O2S2
Molecular Weight317.40 g/mol
Exact Mass317.03
IUPAC NameN-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3cccs3)s2)cc1
InChIInChI=1S/C14H11N3O2S2/c1-19-10-6-4-9(5-7-10)13-16-17-14(21-13)15-12(18)11-3-2-8-20-11/h2-8H,1H3,(H,15,17,18)
InChIKeyKADBFQFBXPJRGR-UHFFFAOYSA-N
XLogP3.53
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-(4-methoxyphenyl)-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 N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide (CID 809027) is N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide is COc1ccc(-c2nnc(NC(=O)c3cccs3)s2)cc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is KADBFQFBXPJRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S2/c1-19-10-6-4-9(5-7-10)13-16-17-14(21-13)15-12(18)11-3-2-8-20-11/h2-8H,1H3,(H,15,17,18).
What are the key properties of N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide?
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 317.40 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 809027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).