N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide

C19H20N4O2S2 — CID 39026219

IUPACN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide
SMILESCc1nc(NC(=O)Cc2c(C)nc3ccccc3c2C)sc1SCC(N)=O
InChIInChI=1S/C19H20N4O2S2/c1-10-13-6-4-5-7-15(13)21-11(2)14(10)8-17(25)23-19-22-12(3)18(27-19)26-9-16(20)24/h4-7H,8-9H2,1-3H3,(H2,20,24)(H,22,23,25)
InChIKeyRASXIKRHSZJLDQ-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.38
Rot. Bonds6

About N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide

N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide (PubChem CID 39026219) has the molecular formula C19H20N4O2S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide
PubChem CID39026219
Molecular FormulaC19H20N4O2S2
Molecular Weight400.53 g/mol
Exact Mass400.10
IUPAC NameN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide
SMILESCc1nc(NC(=O)Cc2c(C)nc3ccccc3c2C)sc1SCC(N)=O
InChIInChI=1S/C19H20N4O2S2/c1-10-13-6-4-5-7-15(13)21-11(2)14(10)8-17(25)23-19-22-12(3)18(27-19)26-9-16(20)24/h4-7H,8-9H2,1-3H3,(H2,20,24)(H,22,23,25)
InChIKeyRASXIKRHSZJLDQ-UHFFFAOYSA-N
XLogP3.38
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide?
The IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide (CID 39026219) is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide.
What is the SMILES notation for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide?
The canonical SMILES for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide is Cc1nc(NC(=O)Cc2c(C)nc3ccccc3c2C)sc1SCC(N)=O.
What is the InChIKey of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide?
The InChIKey is RASXIKRHSZJLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S2/c1-10-13-6-4-5-7-15(13)21-11(2)14(10)8-17(25)23-19-22-12(3)18(27-19)26-9-16(20)24/h4-7H,8-9H2,1-3H3,(H2,20,24)(H,22,23,25).
What are the key properties of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide?
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide has a molecular weight of 400.53 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide is sourced from PubChem (CID 39026219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).