N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide

C21H18ClN3O2S — CID 39764740

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide
SMILESCc1cc(C)c2c(c1)c(C)cc(=O)n2CC(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C21H18ClN3O2S/c1-11-6-13(3)20-15(7-11)12(2)8-19(27)25(20)10-18(26)24-21-23-16-5-4-14(22)9-17(16)28-21/h4-9H,10H2,1-3H3,(H,23,24,26)
InChIKeyITDKVNAQRAREOI-UHFFFAOYSA-N
MW411.91 g/mol
LogP4.83
Rot. Bonds3

About N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide

N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide (PubChem CID 39764740) has the molecular formula C21H18ClN3O2S and a molecular weight of 411.91 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide
PubChem CID39764740
Molecular FormulaC21H18ClN3O2S
Molecular Weight411.91 g/mol
Exact Mass411.08
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide
SMILESCc1cc(C)c2c(c1)c(C)cc(=O)n2CC(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C21H18ClN3O2S/c1-11-6-13(3)20-15(7-11)12(2)8-19(27)25(20)10-18(26)24-21-23-16-5-4-14(22)9-17(16)28-21/h4-9H,10H2,1-3H3,(H,23,24,26)
InChIKeyITDKVNAQRAREOI-UHFFFAOYSA-N
XLogP4.83
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.91
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide with MolForge

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Related Compounds

N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide
CID 39768366
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(8-fluoro-2-methyl-4-oxoquinolin-1-yl)acetamide
CID 43833252
ethyl 2-[[2-(4,8-dimethyl-2-oxoquinolin-1-yl)acetyl]amino]-1,3-benzothiazole-6-carboxylate
CID 39764325
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 110686818
N-(1,3-benzothiazol-2-yl)-2-(8-methoxy-4-methyl-2-oxoquinolin-1-yl)acetamide
CID 39765147
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 110686662
2-(butan-2-ylamino)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 60852655
ethyl 2-[[2-(4-methyl-2-oxoquinolin-1-yl)acetyl]amino]-1,3-benzothiazole-6-carboxylate
CID 39763580
2-tert-butylsulfanyl-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 112794492
N-(6-chloro-1,3-benzothiazol-2-yl)-2-piperazin-1-ylacetamide
CID 43130620
2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 30935983
2-(4-aminopiperidin-1-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 79322232

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide (CID 39764740) is N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide is Cc1cc(C)c2c(c1)c(C)cc(=O)n2CC(=O)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide?
The InChIKey is ITDKVNAQRAREOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2S/c1-11-6-13(3)20-15(7-11)12(2)8-19(27)25(20)10-18(26)24-21-23-16-5-4-14(22)9-17(16)28-21/h4-9H,10H2,1-3H3,(H,23,24,26).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide has a molecular weight of 411.91 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4,6,8-trimethyl-2-oxoquinolin-1-yl)acetamide is sourced from PubChem (CID 39764740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).