N-[4-[[2-(5-anilino-1,3,4-thiadiazol-2-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]acetamide

C20H17N5OS3 — CID 24994282

IUPACN-[4-[[2-(5-anilino-1,3,4-thiadiazol-2-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(CSc2ccsc2-c2nnc(Nc3ccccc3)s2)ccn1
InChIInChI=1S/C20H17N5OS3/c1-13(26)22-17-11-14(7-9-21-17)12-28-16-8-10-27-18(16)19-24-25-20(29-19)23-15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,23,25)(H,21,22,26)
InChIKeyCQXKKYFRTZQTLG-UHFFFAOYSA-N
MW439.59 g/mol
LogP5.66
Rot. Bonds7

About N-[4-[[2-(5-anilino-1,3,4-thiadiazol-2-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]acetamide

N-[4-[[2-(5-anilino-1,3,4-thiadiazol-2-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]acetamide (PubChem CID 24994282) has the molecular formula C20H17N5OS3 and a molecular weight of 439.59 g/mol. Its IUPAC name is N-[4-[[2-(5-anilino-1,3,4-thiadiazol-2-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(5-anilino-1,3,4-thiadiazol-2-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]acetamide
PubChem CID24994282
Molecular FormulaC20H17N5OS3
Molecular Weight439.59 g/mol
Exact Mass439.06
IUPAC NameN-[4-[[2-(5-anilino-1,3,4-thiadiazol-2-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(CSc2ccsc2-c2nnc(Nc3ccccc3)s2)ccn1
InChIInChI=1S/C20H17N5OS3/c1-13(26)22-17-11-14(7-9-21-17)12-28-16-8-10-27-18(16)19-24-25-20(29-19)23-15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,23,25)(H,21,22,26)
InChIKeyCQXKKYFRTZQTLG-UHFFFAOYSA-N
XLogP5.66
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.59
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[[2-(5-anilino-1,3,4-thiadiazol-2-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]acetamide with MolForge

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Related Compounds

N-[4-[[3-[5-(3-chloroanilino)-1,3,4-thiadiazol-2-yl]thiophen-2-yl]methyl]-2-pyridinyl]acetamide
CID 67000185
3-[(2-acetamido-4-pyridinyl)methylsulfanyl]-N-isoquinolin-3-ylthiophene-2-carboxamide
CID 23150924
5-[2-[(2-fluoro-4-pyridinyl)methylsulfanyl]phenyl]-N-phenyl-1,3,4-thiadiazol-2-amine
CID 24993656
2-[(2-acetamido-4-pyridinyl)methylsulfanyl]-N-(3-propan-2-ylphenyl)benzamide
CID 23151002
N-[4-[[3-[(phenylcarbamoylamino)carbamoyl]-2-pyridinyl]sulfanylmethyl]-2-pyridinyl]acetamide
CID 59152531
2-[(2-acetamido-4-pyridinyl)methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 23150979
N-[4-(methoxymethyl)-2-pyridinyl]acetamide
CID 59578573
2-[(2-acetamido-4-pyridinyl)methylsulfanyl]-N-(4-hydroxy-3,5-dimethylphenyl)pyridine-3-carboxamide
CID 11166118
2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]phenol
CID 62468746
N-[3-[[5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide
CID 55570214
2-[[5-(3-acetamidoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-phenylpropanamide
CID 42890055
N-phenyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 5244754

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(5-anilino-1,3,4-thiadiazol-2-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[[2-(5-anilino-1,3,4-thiadiazol-2-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]acetamide (CID 24994282) is N-[4-[[2-(5-anilino-1,3,4-thiadiazol-2-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[[2-(5-anilino-1,3,4-thiadiazol-2-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[[2-(5-anilino-1,3,4-thiadiazol-2-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(CSc2ccsc2-c2nnc(Nc3ccccc3)s2)ccn1.
What is the InChIKey of N-[4-[[2-(5-anilino-1,3,4-thiadiazol-2-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]acetamide?
The InChIKey is CQXKKYFRTZQTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5OS3/c1-13(26)22-17-11-14(7-9-21-17)12-28-16-8-10-27-18(16)19-24-25-20(29-19)23-15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,23,25)(H,21,22,26).
What are the key properties of N-[4-[[2-(5-anilino-1,3,4-thiadiazol-2-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]acetamide?
N-[4-[[2-(5-anilino-1,3,4-thiadiazol-2-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]acetamide has a molecular weight of 439.59 g/mol, XLogP of 5.66, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(5-anilino-1,3,4-thiadiazol-2-yl)thiophen-3-yl]sulfanylmethyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 24994282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).