N-(5-bromo-3-methyl-2-pyridinyl)-2-(4-carbamothioylphenyl)acetamide

C15H14BrN3OS — CID 83164553

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-2-(4-carbamothioylphenyl)acetamide
SMILESCc1cc(Br)cnc1NC(=O)Cc1ccc(C(N)=S)cc1
InChIInChI=1S/C15H14BrN3OS/c1-9-6-12(16)8-18-15(9)19-13(20)7-10-2-4-11(5-3-10)14(17)21/h2-6,8H,7H2,1H3,(H2,17,21)(H,18,19,20)
InChIKeyFZEHIGXXUBVBPP-UHFFFAOYSA-N
MW364.27 g/mol
LogP2.97
Rot. Bonds4

About N-(5-bromo-3-methyl-2-pyridinyl)-2-(4-carbamothioylphenyl)acetamide

N-(5-bromo-3-methyl-2-pyridinyl)-2-(4-carbamothioylphenyl)acetamide (PubChem CID 83164553) has the molecular formula C15H14BrN3OS and a molecular weight of 364.27 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-2-(4-carbamothioylphenyl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-2-(4-carbamothioylphenyl)acetamide
PubChem CID83164553
Molecular FormulaC15H14BrN3OS
Molecular Weight364.27 g/mol
Exact Mass363.00
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-2-(4-carbamothioylphenyl)acetamide
SMILESCc1cc(Br)cnc1NC(=O)Cc1ccc(C(N)=S)cc1
InChIInChI=1S/C15H14BrN3OS/c1-9-6-12(16)8-18-15(9)19-13(20)7-10-2-4-11(5-3-10)14(17)21/h2-6,8H,7H2,1H3,(H2,17,21)(H,18,19,20)
InChIKeyFZEHIGXXUBVBPP-UHFFFAOYSA-N
XLogP2.97
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-3-methyl-2-pyridinyl)-2-(2-methylphenyl)acetamide
CID 81489668
N-(5-bromo-3-methyl-2-pyridinyl)-2-thiophen-3-ylacetamide
CID 81489498
N-(5-bromo-3-methyl-2-pyridinyl)-2-(2-methoxyphenyl)acetamide
CID 81489105
2-(4-carbamothioylphenyl)-N-(2,4-dibromophenyl)acetamide
CID 63591399
N-(5-bromo-3-methyl-2-pyridinyl)-2-carbamothioyl-2-ethylbutanamide
CID 83170222
N-(5-bromo-3-methyl-2-pyridinyl)-3,3,3-trifluoropropanamide
CID 81489506
N-(5-bromo-3-methyl-2-pyridinyl)-1-carbamothioylcyclopentane-1-carboxamide
CID 83170534
2-(azetidin-3-yl)-N-(5-bromo-3-methyl-2-pyridinyl)acetamide
CID 83170220
N-(5-bromo-3-methyl-2-pyridinyl)-1-carbamothioylcycloheptane-1-carboxamide
CID 83166255
N-(5-bromo-3-methyl-2-pyridinyl)-4-hydrazinyl-3-methylbenzamide
CID 83171125
1-[2-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 83170239
2-[(5-bromo-3-methyl-2-pyridinyl)amino]acetamide
CID 79717961

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-2-(4-carbamothioylphenyl)acetamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-2-(4-carbamothioylphenyl)acetamide (CID 83164553) is N-(5-bromo-3-methyl-2-pyridinyl)-2-(4-carbamothioylphenyl)acetamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-2-(4-carbamothioylphenyl)acetamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-2-(4-carbamothioylphenyl)acetamide is Cc1cc(Br)cnc1NC(=O)Cc1ccc(C(N)=S)cc1.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-2-(4-carbamothioylphenyl)acetamide?
The InChIKey is FZEHIGXXUBVBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3OS/c1-9-6-12(16)8-18-15(9)19-13(20)7-10-2-4-11(5-3-10)14(17)21/h2-6,8H,7H2,1H3,(H2,17,21)(H,18,19,20).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-2-(4-carbamothioylphenyl)acetamide?
N-(5-bromo-3-methyl-2-pyridinyl)-2-(4-carbamothioylphenyl)acetamide has a molecular weight of 364.27 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-2-(4-carbamothioylphenyl)acetamide is sourced from PubChem (CID 83164553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).