2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]pyrazole-3-carboxamide

C16H15N5OS — CID 778905

IUPAC2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]pyrazole-3-carboxamide
SMILESCc1ccc2cccc(NC(=S)NC(=O)c3ccnn3C)c2n1
InChIInChI=1S/C16H15N5OS/c1-10-6-7-11-4-3-5-12(14(11)18-10)19-16(23)20-15(22)13-8-9-17-21(13)2/h3-9H,1-2H3,(H2,19,20,22,23)
InChIKeyCVZHZZSUGIQIQL-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.40
Rot. Bonds2

About 2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]pyrazole-3-carboxamide

2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]pyrazole-3-carboxamide (PubChem CID 778905) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is 2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]pyrazole-3-carboxamide
PubChem CID778905
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC Name2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]pyrazole-3-carboxamide
SMILESCc1ccc2cccc(NC(=S)NC(=O)c3ccnn3C)c2n1
InChIInChI=1S/C16H15N5OS/c1-10-6-7-11-4-3-5-12(14(11)18-10)19-16(23)20-15(22)13-8-9-17-21(13)2/h3-9H,1-2H3,(H2,19,20,22,23)
InChIKeyCVZHZZSUGIQIQL-UHFFFAOYSA-N
XLogP2.40
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]pyrazole-3-carboxamide (CID 778905) is 2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]pyrazole-3-carboxamide is Cc1ccc2cccc(NC(=S)NC(=O)c3ccnn3C)c2n1.
What is the InChIKey of 2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]pyrazole-3-carboxamide?
The InChIKey is CVZHZZSUGIQIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-10-6-7-11-4-3-5-12(14(11)18-10)19-16(23)20-15(22)13-8-9-17-21(13)2/h3-9H,1-2H3,(H2,19,20,22,23).
What are the key properties of 2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]pyrazole-3-carboxamide?
2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]pyrazole-3-carboxamide has a molecular weight of 325.40 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methylquinolin-8-yl)carbamothioyl]pyrazole-3-carboxamide is sourced from PubChem (CID 778905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).