N-(1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide

C19H15N3OS2 — CID 39765940

IUPACN-(1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2nc3ccccc3s2)nc2ccccc12
InChIInChI=1S/C19H15N3OS2/c1-12-10-18(20-14-7-3-2-6-13(12)14)24-11-17(23)22-19-21-15-8-4-5-9-16(15)25-19/h2-10H,11H2,1H3,(H,21,22,23)
InChIKeyCSMLHSPJSGNMFS-UHFFFAOYSA-N
MW365.48 g/mol
LogP4.88
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide

N-(1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 39765940) has the molecular formula C19H15N3OS2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
PubChem CID39765940
Molecular FormulaC19H15N3OS2
Molecular Weight365.48 g/mol
Exact Mass365.07
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)Nc2nc3ccccc3s2)nc2ccccc12
InChIInChI=1S/C19H15N3OS2/c1-12-10-18(20-14-7-3-2-6-13(12)14)24-11-17(23)22-19-21-15-8-4-5-9-16(15)25-19/h2-10H,11H2,1H3,(H,21,22,23)
InChIKeyCSMLHSPJSGNMFS-UHFFFAOYSA-N
XLogP4.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzhydryl-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4034341
prop-2-enyl 4-methyl-2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate
CID 39773541
N-(2,6-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4800101
N-(2,6-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 9107262
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2430340
4-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoic acid
CID 22695352
N-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 755909
N-(1,3-benzothiazol-2-yl)-2-(2H-triazol-4-ylsulfanyl)acetamide
CID 6411115
2-[2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 1373327
2-(6-acetamidopyridazin-3-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide
CID 42138966
N-(5-chloro-2-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 39757992
N-(2,4-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 3948917

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide (CID 39765940) is N-(1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide is Cc1cc(SCC(=O)Nc2nc3ccccc3s2)nc2ccccc12.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is CSMLHSPJSGNMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS2/c1-12-10-18(20-14-7-3-2-6-13(12)14)24-11-17(23)22-19-21-15-8-4-5-9-16(15)25-19/h2-10H,11H2,1H3,(H,21,22,23).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide?
N-(1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 365.48 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 39765940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).