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

C15H14N4O2S — CID 1466181

IUPACN-propyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESCCCN(C(=O)c1ccco1)c1nnc(-c2ccncc2)s1
InChIInChI=1S/C15H14N4O2S/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
InChIKeyNLBAJQQCVSIESI-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.25
Rot. Bonds5

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

N-propyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide (PubChem CID 1466181) has the molecular formula C15H14N4O2S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-propyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-propyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
PubChem CID1466181
Molecular FormulaC15H14N4O2S
Molecular Weight314.37 g/mol
Exact Mass314.08
IUPAC NameN-propyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESCCCN(C(=O)c1ccco1)c1nnc(-c2ccncc2)s1
InChIInChI=1S/C15H14N4O2S/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
InChIKeyNLBAJQQCVSIESI-UHFFFAOYSA-N
XLogP3.25
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(furan-2-ylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethylacetamide
CID 1154984
Furan-2-carboxylic acid ethyl-(5-pyridin-3-yl-[1,3,4]thiadiazol-2-yl)-amide
CID 24792448
5-methyl-N-[5-(4-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-furamide
CID 1245709
3-[5-Furan-2-yl-4-(2-methoxy-ethyl)-4H-[1,2,4]triazol-3-ylsulfanylmethyl]-pyridine
CID 646468
{4-[(1-tert-Butyl-1H-tetrazol-5-yl)-pyridin-3-yl-methyl]-piperazin-1-yl}-furan-2-yl-methanone
CID 651632
N-(furan-2-ylmethyl)-2-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1081414
2-methyl-N-[5-(4-pyridinyl)-1,3,4-thiadiazol-2-yl]-3-furamide
CID 1245776
N-(furan-2-ylmethyl)-2-[[4-(2-methylpropyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1291211
3-(2-Furylmethyl)-5-(3-pyridinylmethylene)-2-thioxo-1,3-thiazolidin-4-one
CID 1372564
N-(furan-2-ylmethyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 5309442
(2Z)-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 127031375
(2Z)-5-ethyl-3-(furan-2-ylmethyl)-2-[(Z)-pyridin-3-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 127031376

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-propyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide (CID 1466181) is N-propyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-propyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-propyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide is CCCN(C(=O)c1ccco1)c1nnc(-c2ccncc2)s1.
What is the InChIKey of N-propyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The InChIKey is NLBAJQQCVSIESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2S/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)furan-2-carboxamide?
N-propyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)furan-2-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 3.25, 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)furan-2-carboxamide is sourced from PubChem (CID 1466181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).