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

C15H14N4OS2 — CID 652991

IUPACN-propyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCCCN(C(=O)c1cccs1)c1nnc(-c2ccncc2)s1
InChIInChI=1S/C15H14N4OS2/c1-2-9-19(14(20)12-4-3-10-21-12)15-18-17-13(22-15)11-5-7-16-8-6-11/h3-8,10H,2,9H2,1H3
InChIKeyZSJZMIVNNZUWPH-UHFFFAOYSA-N
MW330.44 g/mol
LogP3.72
Rot. Bonds5

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

N-propyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (PubChem CID 652991) has the molecular formula C15H14N4OS2 and a molecular weight of 330.44 g/mol. Its IUPAC name is N-propyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-propyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
PubChem CID652991
Molecular FormulaC15H14N4OS2
Molecular Weight330.44 g/mol
Exact Mass330.06
IUPAC NameN-propyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCCCN(C(=O)c1cccs1)c1nnc(-c2ccncc2)s1
InChIInChI=1S/C15H14N4OS2/c1-2-9-19(14(20)12-4-3-10-21-12)15-18-17-13(22-15)11-5-7-16-8-6-11/h3-8,10H,2,9H2,1H3
InChIKeyZSJZMIVNNZUWPH-UHFFFAOYSA-N
XLogP3.72
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-propyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (CID 652991) is N-propyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-propyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-propyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is CCCN(C(=O)c1cccs1)c1nnc(-c2ccncc2)s1.
What is the InChIKey of N-propyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is ZSJZMIVNNZUWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS2/c1-2-9-19(14(20)12-4-3-10-21-12)15-18-17-13(22-15)11-5-7-16-8-6-11/h3-8,10H,2,9H2,1H3.
What are the key properties of N-propyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
N-propyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 330.44 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 652991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).