2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]propanamide

C15H17N3OS — CID 17274622

IUPAC2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]propanamide
SMILESCc1ccc2cccc(NC(=S)NC(=O)C(C)C)c2n1
InChIInChI=1S/C15H17N3OS/c1-9(2)14(19)18-15(20)17-12-6-4-5-11-8-7-10(3)16-13(11)12/h4-9H,1-3H3,(H2,17,18,19,20)
InChIKeyQAYORZWUQNEJHZ-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.01
Rot. Bonds2

About 2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]propanamide

2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]propanamide (PubChem CID 17274622) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]propanamide
PubChem CID17274622
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]propanamide
SMILESCc1ccc2cccc(NC(=S)NC(=O)C(C)C)c2n1
InChIInChI=1S/C15H17N3OS/c1-9(2)14(19)18-15(20)17-12-6-4-5-11-8-7-10(3)16-13(11)12/h4-9H,1-3H3,(H2,17,18,19,20)
InChIKeyQAYORZWUQNEJHZ-UHFFFAOYSA-N
XLogP3.01
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methylquinolin-8-yl)carbamothioyl]thiophene-2-carboxamide
CID 778896
2-methyl-3-(methylamino)-N-(2-methylquinolin-8-yl)propanamide
CID 79201712
N-[(2-methylquinolin-8-yl)carbamothioyl]-2-phenoxyacetamide
CID 16740405
methyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate
CID 112617186
(E)-N-[(2-methylquinolin-8-yl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 1114505
(2R)-2-amino-3,3-dimethyl-N-(2-methylquinolin-8-yl)butanamide
CID 103929864
2-(2-methoxyphenoxy)-N-(2-methylquinolin-8-yl)propanamide
CID 17012319
2-methoxy-N-(2-methylquinolin-8-yl)acetamide
CID 62999446
2-amino-N-(2-methylquinolin-8-yl)acetamide
CID 62952419
2-[(2-methylquinolin-8-yl)amino]propanoic acid
CID 66173350
3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic acid
CID 62953963
4-hydroxy-N-(2-methylquinolin-8-yl)butanamide
CID 79192493

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]propanamide?
The IUPAC name of 2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]propanamide (CID 17274622) is 2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]propanamide?
The canonical SMILES for 2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]propanamide is Cc1ccc2cccc(NC(=S)NC(=O)C(C)C)c2n1.
What is the InChIKey of 2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]propanamide?
The InChIKey is QAYORZWUQNEJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-9(2)14(19)18-15(20)17-12-6-4-5-11-8-7-10(3)16-13(11)12/h4-9H,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]propanamide?
2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]propanamide has a molecular weight of 287.39 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]propanamide is sourced from PubChem (CID 17274622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).