(2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide

C16H16N4OS2 — CID 42272482

IUPAC(2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide
SMILESCCc1nnc(NC(=O)[C@@H](C)Sc2ccc3ccccc3n2)s1
InChIInChI=1S/C16H16N4OS2/c1-3-13-19-20-16(23-13)18-15(21)10(2)22-14-9-8-11-6-4-5-7-12(11)17-14/h4-10H,3H2,1-2H3,(H,18,20,21)/t10-/m1/s1
InChIKeyXDIIFCMASYFVGR-SNVBAGLBSA-N
MW344.47 g/mol
LogP3.77
Rot. Bonds5

About (2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide

(2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide (PubChem CID 42272482) has the molecular formula C16H16N4OS2 and a molecular weight of 344.47 g/mol. Its IUPAC name is (2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide
PubChem CID42272482
Molecular FormulaC16H16N4OS2
Molecular Weight344.47 g/mol
Exact Mass344.08
IUPAC Name(2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide
SMILESCCc1nnc(NC(=O)[C@@H](C)Sc2ccc3ccccc3n2)s1
InChIInChI=1S/C16H16N4OS2/c1-3-13-19-20-16(23-13)18-15(21)10(2)22-14-9-8-11-6-4-5-7-12(11)17-14/h4-10H,3H2,1-2H3,(H,18,20,21)/t10-/m1/s1
InChIKeyXDIIFCMASYFVGR-SNVBAGLBSA-N
XLogP3.77
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide
CID 46301712
N-propyl-2-quinolin-2-ylsulfanylpropanamide
CID 51233888
1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-quinolin-2-ylurea
CID 50744730
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylquinolin-2-yl)sulfanylpropanamide
CID 46301876
N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-2-phenylsulfanylpropanamide
CID 82176329
(2R)-N-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272522
N-tert-butyl-2-quinolin-2-ylsulfanylpropanamide
CID 17416780
2-quinolin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 17438384
ethyl 2-quinolin-2-ylsulfanylpropanoate
CID 46302535
(2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135763798
(2R)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272462
(2R)-2-quinolin-2-ylsulfanyl-N-(2,4,6-trichlorophenyl)propanamide
CID 7754952

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide?
The IUPAC name of (2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide (CID 42272482) is (2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide?
The canonical SMILES for (2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide is CCc1nnc(NC(=O)[C@@H](C)Sc2ccc3ccccc3n2)s1.
What is the InChIKey of (2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide?
The InChIKey is XDIIFCMASYFVGR-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16N4OS2/c1-3-13-19-20-16(23-13)18-15(21)10(2)22-14-9-8-11-6-4-5-7-12(11)17-14/h4-10H,3H2,1-2H3,(H,18,20,21)/t10-/m1/s1.
What are the key properties of (2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide?
(2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide has a molecular weight of 344.47 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide is sourced from PubChem (CID 42272482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).