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

C17H18N4OS2 — CID 46301712

IUPACN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide
SMILESCC(Sc1ccc2ccccc2n1)C(=O)Nc1nnc(C(C)C)s1
InChIInChI=1S/C17H18N4OS2/c1-10(2)16-20-21-17(24-16)19-15(22)11(3)23-14-9-8-12-6-4-5-7-13(12)18-14/h4-11H,1-3H3,(H,19,21,22)
InChIKeyYYWZOOMFDQPZKM-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.33
Rot. Bonds5

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

N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide (PubChem CID 46301712) has the molecular formula C17H18N4OS2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide
PubChem CID46301712
Molecular FormulaC17H18N4OS2
Molecular Weight358.49 g/mol
Exact Mass358.09
IUPAC NameN-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide
SMILESCC(Sc1ccc2ccccc2n1)C(=O)Nc1nnc(C(C)C)s1
InChIInChI=1S/C17H18N4OS2/c1-10(2)16-20-21-17(24-16)19-15(22)11(3)23-14-9-8-12-6-4-5-7-13(12)18-14/h4-11H,1-3H3,(H,19,21,22)
InChIKeyYYWZOOMFDQPZKM-UHFFFAOYSA-N
XLogP4.33
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272482
2-quinolin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide
CID 17431422
(2R)-N-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272522
N-tert-butyl-2-quinolin-2-ylsulfanylpropanamide
CID 17416780
(2R)-2-quinolin-2-ylsulfanyl-N-(2,4,6-trichlorophenyl)propanamide
CID 7754952
(2R)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272462
(2R)-N-(2-phenylphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 7754955
(2S)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272463
N-propyl-2-quinolin-2-ylsulfanylpropanamide
CID 51233888
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)propanamide
CID 46302049
(2R)-2-quinolin-2-ylsulfanylpropanoic acid
CID 950909
2-quinolin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 17438384

Frequently Asked Questions

What is the IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide?
The IUPAC name of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide (CID 46301712) is N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide?
The canonical SMILES for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide is CC(Sc1ccc2ccccc2n1)C(=O)Nc1nnc(C(C)C)s1.
What is the InChIKey of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide?
The InChIKey is YYWZOOMFDQPZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS2/c1-10(2)16-20-21-17(24-16)19-15(22)11(3)23-14-9-8-12-6-4-5-7-13(12)18-14/h4-11H,1-3H3,(H,19,21,22).
What are the key properties of N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide?
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide has a molecular weight of 358.49 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide is sourced from PubChem (CID 46301712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).