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

C14H12N4OS2 — CID 647461

IUPACN-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCCN(C(=O)c1cccs1)c1nnc(-c2ccncc2)s1
InChIInChI=1S/C14H12N4OS2/c1-2-18(13(19)11-4-3-9-20-11)14-17-16-12(21-14)10-5-7-15-8-6-10/h3-9H,2H2,1H3
InChIKeyQHQINHBWARPCHP-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.33
Rot. Bonds4

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

N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (PubChem CID 647461) has the molecular formula C14H12N4OS2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
PubChem CID647461
Molecular FormulaC14H12N4OS2
Molecular Weight316.41 g/mol
Exact Mass316.05
IUPAC NameN-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCCN(C(=O)c1cccs1)c1nnc(-c2ccncc2)s1
InChIInChI=1S/C14H12N4OS2/c1-2-18(13(19)11-4-3-9-20-11)14-17-16-12(21-14)10-5-7-15-8-6-10/h3-9H,2H2,1H3
InChIKeyQHQINHBWARPCHP-UHFFFAOYSA-N
XLogP3.33
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (CID 647461) is N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is CCN(C(=O)c1cccs1)c1nnc(-c2ccncc2)s1.
What is the InChIKey of N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is QHQINHBWARPCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS2/c1-2-18(13(19)11-4-3-9-20-11)14-17-16-12(21-14)10-5-7-15-8-6-10/h3-9H,2H2,1H3.
What are the key properties of N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 647461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).