N-(furan-2-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide

C18H14N4O2S2 — CID 3242565

IUPACN-(furan-2-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide
SMILESCc1nnc(Sc2cc(C(=O)NCc3ccco3)c3ccccc3n2)s1
InChIInChI=1S/C18H14N4O2S2/c1-11-21-22-18(25-11)26-16-9-14(13-6-2-3-7-15(13)20-16)17(23)19-10-12-5-4-8-24-12/h2-9H,10H2,1H3,(H,19,23)
InChIKeySULSKCITJDAFDM-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.07
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide

N-(furan-2-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide (PubChem CID 3242565) has the molecular formula C18H14N4O2S2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide
PubChem CID3242565
Molecular FormulaC18H14N4O2S2
Molecular Weight382.47 g/mol
Exact Mass382.06
IUPAC NameN-(furan-2-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide
SMILESCc1nnc(Sc2cc(C(=O)NCc3ccco3)c3ccccc3n2)s1
InChIInChI=1S/C18H14N4O2S2/c1-11-21-22-18(25-11)26-16-9-14(13-6-2-3-7-15(13)20-16)17(23)19-10-12-5-4-8-24-12/h2-9H,10H2,1H3,(H,19,23)
InChIKeySULSKCITJDAFDM-UHFFFAOYSA-N
XLogP4.07
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide (CID 3242565) is N-(furan-2-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide is Cc1nnc(Sc2cc(C(=O)NCc3ccco3)c3ccccc3n2)s1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide?
The InChIKey is SULSKCITJDAFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2S2/c1-11-21-22-18(25-11)26-16-9-14(13-6-2-3-7-15(13)20-16)17(23)19-10-12-5-4-8-24-12/h2-9H,10H2,1H3,(H,19,23).
What are the key properties of N-(furan-2-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide?
N-(furan-2-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinoline-4-carboxamide is sourced from PubChem (CID 3242565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).