3-carbamothioyl-N-(6-methoxy-3-pyridinyl)benzamide

C14H13N3O2S — CID 24707094

IUPAC3-carbamothioyl-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(C(N)=S)c2)cn1
InChIInChI=1S/C14H13N3O2S/c1-19-12-6-5-11(8-16-12)17-14(18)10-4-2-3-9(7-10)13(15)20/h2-8H,1H3,(H2,15,20)(H,17,18)
InChIKeyRUSPAJMDKZSFBV-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.98
Rot. Bonds4

About 3-carbamothioyl-N-(6-methoxy-3-pyridinyl)benzamide

3-carbamothioyl-N-(6-methoxy-3-pyridinyl)benzamide (PubChem CID 24707094) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-carbamothioyl-N-(6-methoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-carbamothioyl-N-(6-methoxy-3-pyridinyl)benzamide
PubChem CID24707094
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name3-carbamothioyl-N-(6-methoxy-3-pyridinyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(C(N)=S)c2)cn1
InChIInChI=1S/C14H13N3O2S/c1-19-12-6-5-11(8-16-12)17-14(18)10-4-2-3-9(7-10)13(15)20/h2-8H,1H3,(H2,15,20)(H,17,18)
InChIKeyRUSPAJMDKZSFBV-UHFFFAOYSA-N
XLogP1.98
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.98
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

ethyl N-[3-[(6-methoxy-3-pyridinyl)carbamoyl]phenyl]carbamate
CID 9210948
N-(6-methoxy-3-pyridinyl)-3-pyrrol-1-ylbenzamide
CID 17466747
3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide
CID 61090732
(6-methoxy-3-pyridinyl)thiourea
CID 43148919
N-(6-methoxy-3-pyridinyl)-2-oxo-1H-pyridine-4-carboxamide
CID 113257121
3-carbamothioyl-N-pyrimidin-5-ylbenzamide
CID 107588773
4-(3-methoxyanilino)-6-N-(6-methoxy-3-pyridinyl)quinoline-3,6-dicarboxamide
CID 11374151
6-amino-N-(6-methoxy-3-pyridinyl)pyridine-3-carboxamide
CID 62060168
3,4,5-triethoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 7478549
3-[(4-bromophenyl)sulfanylamino]-N-(6-methoxy-3-pyridinyl)benzamide
CID 170977062
2-N-(6-methoxy-3-pyridinyl)pyridine-2,5-dicarboxamide
CID 154047378
3-carbamothioyl-N-pyridin-4-ylbenzamide
CID 24700505

Frequently Asked Questions

What is the IUPAC name of 3-carbamothioyl-N-(6-methoxy-3-pyridinyl)benzamide?
The IUPAC name of 3-carbamothioyl-N-(6-methoxy-3-pyridinyl)benzamide (CID 24707094) is 3-carbamothioyl-N-(6-methoxy-3-pyridinyl)benzamide.
What is the SMILES notation for 3-carbamothioyl-N-(6-methoxy-3-pyridinyl)benzamide?
The canonical SMILES for 3-carbamothioyl-N-(6-methoxy-3-pyridinyl)benzamide is COc1ccc(NC(=O)c2cccc(C(N)=S)c2)cn1.
What is the InChIKey of 3-carbamothioyl-N-(6-methoxy-3-pyridinyl)benzamide?
The InChIKey is RUSPAJMDKZSFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-19-12-6-5-11(8-16-12)17-14(18)10-4-2-3-9(7-10)13(15)20/h2-8H,1H3,(H2,15,20)(H,17,18).
What are the key properties of 3-carbamothioyl-N-(6-methoxy-3-pyridinyl)benzamide?
3-carbamothioyl-N-(6-methoxy-3-pyridinyl)benzamide has a molecular weight of 287.34 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamothioyl-N-(6-methoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 24707094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).