N-benzyl-4-thiophen-2-ylthiadiazole-5-carboxamide

C14H11N3OS2 — CID 100751617

IUPACN-benzyl-4-thiophen-2-ylthiadiazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1snnc1-c1cccs1
InChIInChI=1S/C14H11N3OS2/c18-14(15-9-10-5-2-1-3-6-10)13-12(16-17-20-13)11-7-4-8-19-11/h1-8H,9H2,(H,15,18)
InChIKeyUDXMKBFLOIEUJJ-UHFFFAOYSA-N
MW301.40 g/mol
LogP3.20
Rot. Bonds4

About N-benzyl-4-thiophen-2-ylthiadiazole-5-carboxamide

N-benzyl-4-thiophen-2-ylthiadiazole-5-carboxamide (PubChem CID 100751617) has the molecular formula C14H11N3OS2 and a molecular weight of 301.40 g/mol. Its IUPAC name is N-benzyl-4-thiophen-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-thiophen-2-ylthiadiazole-5-carboxamide
PubChem CID100751617
Molecular FormulaC14H11N3OS2
Molecular Weight301.40 g/mol
Exact Mass301.03
IUPAC NameN-benzyl-4-thiophen-2-ylthiadiazole-5-carboxamide
SMILESO=C(NCc1ccccc1)c1snnc1-c1cccs1
InChIInChI=1S/C14H11N3OS2/c18-14(15-9-10-5-2-1-3-6-10)13-12(16-17-20-13)11-7-4-8-19-11/h1-8H,9H2,(H,15,18)
InChIKeyUDXMKBFLOIEUJJ-UHFFFAOYSA-N
XLogP3.20
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751885
N-[(2S)-butan-2-yl]-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751536
N-(4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751902
N-benzyl-4-thiophen-2-ylbenzamide
CID 3677900
4-propyl-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]thiadiazole-5-carboxamide
CID 121166113
4-(4-methylphenyl)-N-[(4-methylphenyl)methyl]thiadiazole-5-carboxamide
CID 100748542
N-(3-chlorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751917
N-benzylthiophene-2-carboxamide
CID 574227
N-(3-chloro-4-fluorophenyl)-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100752070
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100752637
4-methyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 2738819
N-benzyl-2-methyl-6-thiophen-2-ylpyridine-3-carboxamide
CID 39428057

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-thiophen-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-benzyl-4-thiophen-2-ylthiadiazole-5-carboxamide (CID 100751617) is N-benzyl-4-thiophen-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-4-thiophen-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-benzyl-4-thiophen-2-ylthiadiazole-5-carboxamide is O=C(NCc1ccccc1)c1snnc1-c1cccs1.
What is the InChIKey of N-benzyl-4-thiophen-2-ylthiadiazole-5-carboxamide?
The InChIKey is UDXMKBFLOIEUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS2/c18-14(15-9-10-5-2-1-3-6-10)13-12(16-17-20-13)11-7-4-8-19-11/h1-8H,9H2,(H,15,18).
What are the key properties of N-benzyl-4-thiophen-2-ylthiadiazole-5-carboxamide?
N-benzyl-4-thiophen-2-ylthiadiazole-5-carboxamide has a molecular weight of 301.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-thiophen-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 100751617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).