5-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxothieno[3,2-c]quinoline-2-carboxamide

C18H16N4O2S2 — CID 20865415

IUPAC5-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxothieno[3,2-c]quinoline-2-carboxamide
SMILESCCc1nnc(NC(=O)c2cc3c(=O)n(CC)c4ccccc4c3s2)s1
InChIInChI=1S/C18H16N4O2S2/c1-3-14-20-21-18(26-14)19-16(23)13-9-11-15(25-13)10-7-5-6-8-12(10)22(4-2)17(11)24/h5-9H,3-4H2,1-2H3,(H,19,21,23)
InChIKeyYRNFTPCZOOWSIU-UHFFFAOYSA-N
MW384.49 g/mol
LogP3.90
Rot. Bonds4

About 5-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxothieno[3,2-c]quinoline-2-carboxamide

5-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxothieno[3,2-c]quinoline-2-carboxamide (PubChem CID 20865415) has the molecular formula C18H16N4O2S2 and a molecular weight of 384.49 g/mol. Its IUPAC name is 5-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxothieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxothieno[3,2-c]quinoline-2-carboxamide
PubChem CID20865415
Molecular FormulaC18H16N4O2S2
Molecular Weight384.49 g/mol
Exact Mass384.07
IUPAC Name5-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxothieno[3,2-c]quinoline-2-carboxamide
SMILESCCc1nnc(NC(=O)c2cc3c(=O)n(CC)c4ccccc4c3s2)s1
InChIInChI=1S/C18H16N4O2S2/c1-3-14-20-21-18(26-14)19-16(23)13-9-11-15(25-13)10-7-5-6-8-12(10)22(4-2)17(11)24/h5-9H,3-4H2,1-2H3,(H,19,21,23)
InChIKeyYRNFTPCZOOWSIU-UHFFFAOYSA-N
XLogP3.90
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxothieno[3,2-c]quinoline-2-carboxamide with MolForge

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Related Compounds

1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54679776
N-cyclopentyl-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 6622578
1-ethyl-4-hydroxy-2-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
CID 54687824
1-ethyl-4-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxoquinoline-3-carboxamide
CID 54690333
5-ethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide
CID 20865333
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 17452434
N-[(2,4-dimethoxyphenyl)methyl]-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20865399
5-ethyl-2-(morpholine-4-carbonyl)thieno[3,2-c]quinolin-4-one
CID 5309656
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-ethyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20865329
N-(2-cyanoethyl)-5-ethyl-N-methyl-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 6622369
1-ethyl-4-hydroxy-2-oxo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
CID 162650003
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 745401

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 5-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxothieno[3,2-c]quinoline-2-carboxamide (CID 20865415) is 5-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxothieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 5-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxothieno[3,2-c]quinoline-2-carboxamide is CCc1nnc(NC(=O)c2cc3c(=O)n(CC)c4ccccc4c3s2)s1.
What is the InChIKey of 5-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxothieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is YRNFTPCZOOWSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S2/c1-3-14-20-21-18(26-14)19-16(23)13-9-11-15(25-13)10-7-5-6-8-12(10)22(4-2)17(11)24/h5-9H,3-4H2,1-2H3,(H,19,21,23).
What are the key properties of 5-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxothieno[3,2-c]quinoline-2-carboxamide?
5-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxothieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 384.49 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxothieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 20865415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).