N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide

C24H24N4OS2 — CID 3527793

IUPACN-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2nsc(-c3ccc(C(C)(C)C)cc3)n2)nc2ccccc12
InChIInChI=1S/C24H24N4OS2/c1-15-13-21(25-19-8-6-5-7-18(15)19)30-14-20(29)26-23-27-22(31-28-23)16-9-11-17(12-10-16)24(2,3)4/h5-13H,14H2,1-4H3,(H,26,28,29)
InChIKeyZCUKATMMNABWJT-UHFFFAOYSA-N
MW448.62 g/mol
LogP6.09
Rot. Bonds5

About N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide

N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 3527793) has the molecular formula C24H24N4OS2 and a molecular weight of 448.62 g/mol. Its IUPAC name is N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
PubChem CID3527793
Molecular FormulaC24H24N4OS2
Molecular Weight448.62 g/mol
Exact Mass448.14
IUPAC NameN-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2nsc(-c3ccc(C(C)(C)C)cc3)n2)nc2ccccc12
InChIInChI=1S/C24H24N4OS2/c1-15-13-21(25-19-8-6-5-7-18(15)19)30-14-20(29)26-23-27-22(31-28-23)16-9-11-17(12-10-16)24(2,3)4/h5-13H,14H2,1-4H3,(H,26,28,29)
InChIKeyZCUKATMMNABWJT-UHFFFAOYSA-N
XLogP6.09
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.62
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(4-chlorophenyl)-1,2,4-thiadiazol-3-yl]-2-(2-quinolinylthio)acetamide
CID 1281724
2-(3-Methyl-quinolin-2-ylsulfanyl)-N-(4-phenyl-thiazol-2-yl)-acetamide
CID 1153237
N-(5-Ethyl-1,3,4-thiadiazol-2-YL)-2-[(2-phenylquinazolin-4-YL)sulfanyl]acetamide
CID 1155576
2-[(2-tert-butyl-4-quinazolinyl)thio]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 1442430
2-(2-Benzyl-quinazolin-4-ylsulfanyl)-N-tert-butyl-acetamide
CID 1442488
2-(2-Benzyl-quinazolin-4-ylsulfanyl)-N-(1,1-dimethyl-propyl)-acetamide
CID 1442570
2-(2-Isopropyl-quinazolin-4-ylsulfanyl)-N-(4,5,6,7-tetrahydro-benzothiazol-2-yl)-acetamide
CID 1442808
2-(2-Isopropyl-quinazolin-4-ylsulfanyl)-N-(4-methyl-thiazol-2-yl)-acetamide
CID 1442810
2-(2-Cyclohexyl-quinazolin-4-ylsulfanyl)-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 1465904
N-(4-methyl-1,3-thiazol-2-yl)-2-(7,8,9,10-tetrahydrophenanthridin-6-ylsulfanyl)acetamide
CID 3224595
N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-quinolin-2-ylsulfanylacetamide
CID 4256433
N-[5-(4-methylphenyl)-1,2,4-thiadiazol-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4256434

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide (CID 3527793) is N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide is Cc1cc(SCC(=O)Nc2nsc(-c3ccc(C(C)(C)C)cc3)n2)nc2ccccc12.
What is the InChIKey of N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is ZCUKATMMNABWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS2/c1-15-13-21(25-19-8-6-5-7-18(15)19)30-14-20(29)26-23-27-22(31-28-23)16-9-11-17(12-10-16)24(2,3)4/h5-13H,14H2,1-4H3,(H,26,28,29).
What are the key properties of N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide?
N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 448.62 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-tert-butylphenyl)-1,2,4-thiadiazol-3-yl]-2-(4-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 3527793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).