N-(4,6-dimethyl-2-pyridinyl)-1-benzofuran-2-carbothioamide

C16H14N2OS — CID 10564850

IUPACN-(4,6-dimethyl-2-pyridinyl)-1-benzofuran-2-carbothioamide
SMILESCc1cc(C)nc(NC(=S)c2cc3ccccc3o2)c1
InChIInChI=1S/C16H14N2OS/c1-10-7-11(2)17-15(8-10)18-16(20)14-9-12-5-3-4-6-13(12)19-14/h3-9H,1-2H3,(H,17,18,20)
InChIKeyWUXCGJKQMLFGCU-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.23
Rot. Bonds2

About N-(4,6-dimethyl-2-pyridinyl)-1-benzofuran-2-carbothioamide

N-(4,6-dimethyl-2-pyridinyl)-1-benzofuran-2-carbothioamide (PubChem CID 10564850) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-1-benzofuran-2-carbothioamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-1-benzofuran-2-carbothioamide
PubChem CID10564850
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-1-benzofuran-2-carbothioamide
SMILESCc1cc(C)nc(NC(=S)c2cc3ccccc3o2)c1
InChIInChI=1S/C16H14N2OS/c1-10-7-11(2)17-15(8-10)18-16(20)14-9-12-5-3-4-6-13(12)19-14/h3-9H,1-2H3,(H,17,18,20)
InChIKeyWUXCGJKQMLFGCU-UHFFFAOYSA-N
XLogP4.23
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4,6-dimethyl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 10849364
N-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide
CID 802234
N-(4,6-dimethyl-2-pyridinyl)-4-oxochromene-2-carboxamide
CID 22105775
1-(4,6-dimethyl-2-pyridinyl)-3-naphthalen-1-ylthiourea
CID 971924
N-[(Z)-1-(1-benzofuran-2-yl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013735
N,N-dimethyl-1-benzofuran-2-carbothioamide
CID 119087189
1-(1-benzofuran-2-yl)ethanone
CID 15435
[1-benzofuran-2-yl(methoxy)methylidene]chromium
CID 134878936
N-(4,6-dimethyl-2-pyridinyl)-2,2-diphenylacetamide
CID 844918
N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
CID 8718281
N-(2-methylquinolin-8-yl)-1-benzofuran-2-carboxamide
CID 2996037
N-[(2-hydroxyphenyl)carbamothioyl]-1-benzofuran-2-carboxamide
CID 822277

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-1-benzofuran-2-carbothioamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-1-benzofuran-2-carbothioamide (CID 10564850) is N-(4,6-dimethyl-2-pyridinyl)-1-benzofuran-2-carbothioamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-1-benzofuran-2-carbothioamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-1-benzofuran-2-carbothioamide is Cc1cc(C)nc(NC(=S)c2cc3ccccc3o2)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-1-benzofuran-2-carbothioamide?
The InChIKey is WUXCGJKQMLFGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-10-7-11(2)17-15(8-10)18-16(20)14-9-12-5-3-4-6-13(12)19-14/h3-9H,1-2H3,(H,17,18,20).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-1-benzofuran-2-carbothioamide?
N-(4,6-dimethyl-2-pyridinyl)-1-benzofuran-2-carbothioamide has a molecular weight of 282.37 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-1-benzofuran-2-carbothioamide is sourced from PubChem (CID 10564850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).