N-(4-carbamothioyl-1H-pyrazol-5-yl)quinoline-5-carboxamide

C14H11N5OS — CID 79497381

IUPACN-(4-carbamothioyl-1H-pyrazol-5-yl)quinoline-5-carboxamide
SMILESNC(=S)c1cn[nH]c1NC(=O)c1cccc2ncccc12
InChIInChI=1S/C14H11N5OS/c15-12(21)10-7-17-19-13(10)18-14(20)9-3-1-5-11-8(9)4-2-6-16-11/h1-7H,(H2,15,21)(H2,17,18,19,20)
InChIKeyOQFZNHKWJKZUHR-UHFFFAOYSA-N
MW297.34 g/mol
LogP1.84
Rot. Bonds3

About N-(4-carbamothioyl-1H-pyrazol-5-yl)quinoline-5-carboxamide

N-(4-carbamothioyl-1H-pyrazol-5-yl)quinoline-5-carboxamide (PubChem CID 79497381) has the molecular formula C14H11N5OS and a molecular weight of 297.34 g/mol. Its IUPAC name is N-(4-carbamothioyl-1H-pyrazol-5-yl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1H-pyrazol-5-yl)quinoline-5-carboxamide
PubChem CID79497381
Molecular FormulaC14H11N5OS
Molecular Weight297.34 g/mol
Exact Mass297.07
IUPAC NameN-(4-carbamothioyl-1H-pyrazol-5-yl)quinoline-5-carboxamide
SMILESNC(=S)c1cn[nH]c1NC(=O)c1cccc2ncccc12
InChIInChI=1S/C14H11N5OS/c15-12(21)10-7-17-19-13(10)18-14(20)9-3-1-5-11-8(9)4-2-6-16-11/h1-7H,(H2,15,21)(H2,17,18,19,20)
InChIKeyOQFZNHKWJKZUHR-UHFFFAOYSA-N
XLogP1.84
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyano-1H-pyrazol-5-yl)quinoline-5-carboxamide
CID 79503748
N-(3-amino-4-pyridinyl)quinoline-5-carboxamide
CID 63062942
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2-fluoro-3-methylbenzamide
CID 81477714
N-(4-carbamothioyl-1H-pyrazol-5-yl)-1H-pyrazole-5-carboxamide
CID 79503790
N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-hydroxybenzamide
CID 79503125
N-(6-amino-3-pyridinyl)quinoline-5-carboxamide
CID 62901696
N-(4-hydroxyphenyl)quinoline-5-carboxamide
CID 62069694
N-(2-amino-2-oxoethoxy)quinoline-5-carboxamide
CID 112550935
N-(4-carbamothioyl-1H-pyrazol-5-yl)-3-fluorobenzamide
CID 79504447
N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide
CID 62848806
N-naphthalen-2-ylquinoline-5-carboxamide
CID 43038035
N-(3-amino-4-chlorophenyl)quinoline-5-carboxamide
CID 62851104

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)quinoline-5-carboxamide?
The IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)quinoline-5-carboxamide (CID 79497381) is N-(4-carbamothioyl-1H-pyrazol-5-yl)quinoline-5-carboxamide.
What is the SMILES notation for N-(4-carbamothioyl-1H-pyrazol-5-yl)quinoline-5-carboxamide?
The canonical SMILES for N-(4-carbamothioyl-1H-pyrazol-5-yl)quinoline-5-carboxamide is NC(=S)c1cn[nH]c1NC(=O)c1cccc2ncccc12.
What is the InChIKey of N-(4-carbamothioyl-1H-pyrazol-5-yl)quinoline-5-carboxamide?
The InChIKey is OQFZNHKWJKZUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5OS/c15-12(21)10-7-17-19-13(10)18-14(20)9-3-1-5-11-8(9)4-2-6-16-11/h1-7H,(H2,15,21)(H2,17,18,19,20).
What are the key properties of N-(4-carbamothioyl-1H-pyrazol-5-yl)quinoline-5-carboxamide?
N-(4-carbamothioyl-1H-pyrazol-5-yl)quinoline-5-carboxamide has a molecular weight of 297.34 g/mol, XLogP of 1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-1H-pyrazol-5-yl)quinoline-5-carboxamide is sourced from PubChem (CID 79497381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).