N-(5-benzyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide

C14H11N3OS2 — CID 644784

IUPACN-(5-benzyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nnc(Cc2ccccc2)s1)c1cccs1
InChIInChI=1S/C14H11N3OS2/c18-13(11-7-4-8-19-11)15-14-17-16-12(20-14)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,17,18)
InChIKeyIGBVONNIYTWQQL-UHFFFAOYSA-N
MW301.40 g/mol
LogP3.44
Rot. Bonds4

About N-(5-benzyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide

N-(5-benzyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (PubChem CID 644784) has the molecular formula C14H11N3OS2 and a molecular weight of 301.40 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
PubChem CID644784
Molecular FormulaC14H11N3OS2
Molecular Weight301.40 g/mol
Exact Mass301.03
IUPAC NameN-(5-benzyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1nnc(Cc2ccccc2)s1)c1cccs1
InChIInChI=1S/C14H11N3OS2/c18-13(11-7-4-8-19-11)15-14-17-16-12(20-14)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,17,18)
InChIKeyIGBVONNIYTWQQL-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 821478
4-iodo-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 44412060
N-(5-benzyl-1,3,4-thiadiazol-2-yl)benzamide
CID 816787
5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3-thiophenecarboxamide
CID 1245444
3-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3669135
2-iodo-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1097674
2-fluoro-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 878365
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 2567184
3-fluoro-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 3152692
N-(5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 4116600
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(thiophen-2-yl)acetamide
CID 8438614
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,5-dimethylthiophene-3-carboxamide
CID 9460401

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(5-benzyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (CID 644784) is N-(5-benzyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-benzyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is O=C(Nc1nnc(Cc2ccccc2)s1)c1cccs1.
What is the InChIKey of N-(5-benzyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is IGBVONNIYTWQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS2/c18-13(11-7-4-8-19-11)15-14-17-16-12(20-14)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,17,18).
What are the key properties of N-(5-benzyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
N-(5-benzyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 301.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 644784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).