N-[(2-methylquinolin-8-yl)carbamothioyl]thiophene-2-carboxamide

C16H13N3OS2 — CID 778896

IUPACN-[(2-methylquinolin-8-yl)carbamothioyl]thiophene-2-carboxamide
SMILESCc1ccc2cccc(NC(=S)NC(=O)c3cccs3)c2n1
InChIInChI=1S/C16H13N3OS2/c1-10-7-8-11-4-2-5-12(14(11)17-10)18-16(21)19-15(20)13-6-3-9-22-13/h2-9H,1H3,(H2,18,19,20,21)
InChIKeyWCGHCIKXRBRPOI-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.73
Rot. Bonds2

About N-[(2-methylquinolin-8-yl)carbamothioyl]thiophene-2-carboxamide

N-[(2-methylquinolin-8-yl)carbamothioyl]thiophene-2-carboxamide (PubChem CID 778896) has the molecular formula C16H13N3OS2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[(2-methylquinolin-8-yl)carbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methylquinolin-8-yl)carbamothioyl]thiophene-2-carboxamide
PubChem CID778896
Molecular FormulaC16H13N3OS2
Molecular Weight327.43 g/mol
Exact Mass327.05
IUPAC NameN-[(2-methylquinolin-8-yl)carbamothioyl]thiophene-2-carboxamide
SMILESCc1ccc2cccc(NC(=S)NC(=O)c3cccs3)c2n1
InChIInChI=1S/C16H13N3OS2/c1-10-7-8-11-4-2-5-12(14(11)17-10)18-16(21)19-15(20)13-6-3-9-22-13/h2-9H,1H3,(H2,18,19,20,21)
InChIKeyWCGHCIKXRBRPOI-UHFFFAOYSA-N
XLogP3.73
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(2-methylquinolin-8-yl)carbamothioyl]-3-thiophen-2-ylprop-2-enamide
CID 1114505
2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]propanamide
CID 17274622
N-[(3-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 739014
N-[(7-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide
CID 7341264
N-[(6-hydroxynaphthalen-1-yl)carbamothioyl]thiophene-2-carboxamide
CID 2223320
N-[(4,7-dimethyl-1,3-benzothiazol-2-yl)carbamothioyl]thiophene-2-carboxamide
CID 17100360
N-[(2-methylquinolin-8-yl)carbamothioyl]-2-phenoxyacetamide
CID 16740405
methyl 2-[(2-methylquinolin-8-yl)amino]-2-oxoacetate
CID 112617186
N-[(5-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 4937653
N-[(4-chloro-2-methylphenyl)carbamothioyl]thiophene-2-carboxamide
CID 19187838
(2-methylquinolin-8-yl) thiophene-2-carboxylate
CID 2858152
N-[[2-(tert-butylcarbamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 4936533

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylquinolin-8-yl)carbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2-methylquinolin-8-yl)carbamothioyl]thiophene-2-carboxamide (CID 778896) is N-[(2-methylquinolin-8-yl)carbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2-methylquinolin-8-yl)carbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2-methylquinolin-8-yl)carbamothioyl]thiophene-2-carboxamide is Cc1ccc2cccc(NC(=S)NC(=O)c3cccs3)c2n1.
What is the InChIKey of N-[(2-methylquinolin-8-yl)carbamothioyl]thiophene-2-carboxamide?
The InChIKey is WCGHCIKXRBRPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS2/c1-10-7-8-11-4-2-5-12(14(11)17-10)18-16(21)19-15(20)13-6-3-9-22-13/h2-9H,1H3,(H2,18,19,20,21).
What are the key properties of N-[(2-methylquinolin-8-yl)carbamothioyl]thiophene-2-carboxamide?
N-[(2-methylquinolin-8-yl)carbamothioyl]thiophene-2-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylquinolin-8-yl)carbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 778896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).