N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]-5-(3-methylphenyl)furan-2-carboxamide

C19H16BrN3O2S — CID 17047093

IUPACN-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]-5-(3-methylphenyl)furan-2-carboxamide
SMILESCc1cccc(-c2ccc(C(=O)NC(=S)Nc3ccc(Br)c(C)n3)o2)c1
InChIInChI=1S/C19H16BrN3O2S/c1-11-4-3-5-13(10-11)15-7-8-16(25-15)18(24)23-19(26)22-17-9-6-14(20)12(2)21-17/h3-10H,1-2H3,(H2,21,22,23,24,26)
InChIKeyXPZWZNZKOJHNLE-UHFFFAOYSA-N
MW430.33 g/mol
LogP4.85
Rot. Bonds3

About N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]-5-(3-methylphenyl)furan-2-carboxamide

N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]-5-(3-methylphenyl)furan-2-carboxamide (PubChem CID 17047093) has the molecular formula C19H16BrN3O2S and a molecular weight of 430.33 g/mol. Its IUPAC name is N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]-5-(3-methylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]-5-(3-methylphenyl)furan-2-carboxamide
PubChem CID17047093
Molecular FormulaC19H16BrN3O2S
Molecular Weight430.33 g/mol
Exact Mass429.01
IUPAC NameN-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]-5-(3-methylphenyl)furan-2-carboxamide
SMILESCc1cccc(-c2ccc(C(=O)NC(=S)Nc3ccc(Br)c(C)n3)o2)c1
InChIInChI=1S/C19H16BrN3O2S/c1-11-4-3-5-13(10-11)15-7-8-16(25-15)18(24)23-19(26)22-17-9-6-14(20)12(2)21-17/h3-10H,1-2H3,(H2,21,22,23,24,26)
InChIKeyXPZWZNZKOJHNLE-UHFFFAOYSA-N
XLogP4.85
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.33
LogP ≤ 54.85
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

2-bromo-N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]benzamide
CID 4509621
N-[(4-methyl-2-pyridinyl)carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 5029064
N-[(5-bromo-2-pyridinyl)carbamothioyl]-5-(3-chloro-4-methylphenyl)furan-2-carboxamide
CID 4047498
5-(3-methylphenyl)-N-propan-2-ylfuran-2-carboxamide
CID 151471229
N-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide
CID 3407771
N-(5-bromo-6-methyl-2-pyridinyl)-5-(2,4-dichlorophenyl)furan-2-carboxamide
CID 2237787
N-[N'-[[amino-[[5-(3-methylphenyl)furan-2-carbonyl]amino]methylidene]amino]carbamimidoyl]-5-(4-methylphenyl)furan-2-carboxamide
CID 173108133
5-(2,5-dichlorophenyl)-N-[(5-iodo-6-methyl-2-pyridinyl)carbamothioyl]furan-2-carboxamide
CID 17316537
5-(3-methylphenyl)furan-2-carboxylate
CID 6957364
N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]-3-chloro-4-methoxybenzamide
CID 1289437
N-[(3-bromophenyl)carbamothioyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 17103816
5-(3,4-dimethylphenyl)-N-[(2,3-dimethylphenyl)carbamothioyl]furan-2-carboxamide
CID 5097661

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]-5-(3-methylphenyl)furan-2-carboxamide?
The IUPAC name of N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]-5-(3-methylphenyl)furan-2-carboxamide (CID 17047093) is N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]-5-(3-methylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]-5-(3-methylphenyl)furan-2-carboxamide?
The canonical SMILES for N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]-5-(3-methylphenyl)furan-2-carboxamide is Cc1cccc(-c2ccc(C(=O)NC(=S)Nc3ccc(Br)c(C)n3)o2)c1.
What is the InChIKey of N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]-5-(3-methylphenyl)furan-2-carboxamide?
The InChIKey is XPZWZNZKOJHNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O2S/c1-11-4-3-5-13(10-11)15-7-8-16(25-15)18(24)23-19(26)22-17-9-6-14(20)12(2)21-17/h3-10H,1-2H3,(H2,21,22,23,24,26).
What are the key properties of N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]-5-(3-methylphenyl)furan-2-carboxamide?
N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]-5-(3-methylphenyl)furan-2-carboxamide has a molecular weight of 430.33 g/mol, XLogP of 4.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-6-methyl-2-pyridinyl)carbamothioyl]-5-(3-methylphenyl)furan-2-carboxamide is sourced from PubChem (CID 17047093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).