2-quinolin-2-ylsulfanyl-N-(1,2,4-thiadiazol-3-yl)acetamide

C13H10N4OS2 — CID 23738300

IUPAC2-quinolin-2-ylsulfanyl-N-(1,2,4-thiadiazol-3-yl)acetamide
SMILESO=C(CSc1ccc2ccccc2n1)Nc1ncsn1
InChIInChI=1S/C13H10N4OS2/c18-11(16-13-14-8-20-17-13)7-19-12-6-5-9-3-1-2-4-10(9)15-12/h1-6,8H,7H2,(H,16,17,18)
InChIKeyRTILAGXGNNOLCK-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.82
Rot. Bonds4

About 2-quinolin-2-ylsulfanyl-N-(1,2,4-thiadiazol-3-yl)acetamide

2-quinolin-2-ylsulfanyl-N-(1,2,4-thiadiazol-3-yl)acetamide (PubChem CID 23738300) has the molecular formula C13H10N4OS2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-quinolin-2-ylsulfanyl-N-(1,2,4-thiadiazol-3-yl)acetamide.

Molecular Properties

Compound Name2-quinolin-2-ylsulfanyl-N-(1,2,4-thiadiazol-3-yl)acetamide
PubChem CID23738300
Molecular FormulaC13H10N4OS2
Molecular Weight302.38 g/mol
Exact Mass302.03
IUPAC Name2-quinolin-2-ylsulfanyl-N-(1,2,4-thiadiazol-3-yl)acetamide
SMILESO=C(CSc1ccc2ccccc2n1)Nc1ncsn1
InChIInChI=1S/C13H10N4OS2/c18-11(16-13-14-8-20-17-13)7-19-12-6-5-9-3-1-2-4-10(9)15-12/h1-6,8H,7H2,(H,16,17,18)
InChIKeyRTILAGXGNNOLCK-UHFFFAOYSA-N
XLogP2.82
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-chlorophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 890803
N-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755203
N-(3-bromophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755220
N-(5-chloro-2-hydroxyphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 46302557
2-quinolin-2-ylsulfanylacetamide
CID 2056006
N-[(2R)-butan-2-yl]-2-quinolin-2-ylsulfanylacetamide
CID 7754818
2-quinolin-2-ylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 35990470
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-quinolin-2-ylsulfanylacetamide
CID 1409074
N-(3,4-diethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755135
methyl (2S)-2-phenyl-2-[(2-quinolin-2-ylsulfanylacetyl)amino]acetate
CID 7306493
N-(5-chloro-2-cyanophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755226
2-quinolin-2-ylsulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1278675

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-2-ylsulfanyl-N-(1,2,4-thiadiazol-3-yl)acetamide?
The IUPAC name of 2-quinolin-2-ylsulfanyl-N-(1,2,4-thiadiazol-3-yl)acetamide (CID 23738300) is 2-quinolin-2-ylsulfanyl-N-(1,2,4-thiadiazol-3-yl)acetamide.
What is the SMILES notation for 2-quinolin-2-ylsulfanyl-N-(1,2,4-thiadiazol-3-yl)acetamide?
The canonical SMILES for 2-quinolin-2-ylsulfanyl-N-(1,2,4-thiadiazol-3-yl)acetamide is O=C(CSc1ccc2ccccc2n1)Nc1ncsn1.
What is the InChIKey of 2-quinolin-2-ylsulfanyl-N-(1,2,4-thiadiazol-3-yl)acetamide?
The InChIKey is RTILAGXGNNOLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS2/c18-11(16-13-14-8-20-17-13)7-19-12-6-5-9-3-1-2-4-10(9)15-12/h1-6,8H,7H2,(H,16,17,18).
What are the key properties of 2-quinolin-2-ylsulfanyl-N-(1,2,4-thiadiazol-3-yl)acetamide?
2-quinolin-2-ylsulfanyl-N-(1,2,4-thiadiazol-3-yl)acetamide has a molecular weight of 302.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-2-ylsulfanyl-N-(1,2,4-thiadiazol-3-yl)acetamide is sourced from PubChem (CID 23738300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).