N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide

C20H16N4O2S — CID 2931384

IUPACN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide
SMILESCOCc1nnc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)s1
InChIInChI=1S/C20H16N4O2S/c1-26-12-18-23-24-20(27-18)22-19(25)15-11-17(13-7-3-2-4-8-13)21-16-10-6-5-9-14(15)16/h2-11H,12H2,1H3,(H,22,24,25)
InChIKeyZVLSQQIOMBRWKO-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.15
Rot. Bonds5

About N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide (PubChem CID 2931384) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide
PubChem CID2931384
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC NameN-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide
SMILESCOCc1nnc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)s1
InChIInChI=1S/C20H16N4O2S/c1-26-12-18-23-24-20(27-18)22-19(25)15-11-17(13-7-3-2-4-8-13)21-16-10-6-5-9-14(15)16/h2-11H,12H2,1H3,(H,22,24,25)
InChIKeyZVLSQQIOMBRWKO-UHFFFAOYSA-N
XLogP4.15
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide (CID 2931384) is N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide is COCc1nnc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)s1.
What is the InChIKey of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide?
The InChIKey is ZVLSQQIOMBRWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-26-12-18-23-24-20(27-18)22-19(25)15-11-17(13-7-3-2-4-8-13)21-16-10-6-5-9-14(15)16/h2-11H,12H2,1H3,(H,22,24,25).
What are the key properties of N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide?
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 2931384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).