4-acetamido-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1-dimethylimidazole-2-carboxamide

C20H22FN7O3S — CID 87095009

IUPAC4-acetamido-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1-dimethylimidazole-2-carboxamide
SMILESCC(=O)Nc1cn(C)c(C(=O)N(C)Cc2csc(NC(=O)NCc3cccc(F)c3)n2)n1
InChIInChI=1S/C20H22FN7O3S/c1-12(29)23-16-10-27(2)17(25-16)18(30)28(3)9-15-11-32-20(24-15)26-19(31)22-8-13-5-4-6-14(21)7-13/h4-7,10-11H,8-9H2,1-3H3,(H,23,29)(H2,22,24,26,31)
InChIKeyZXWMVFOKVYXUQL-UHFFFAOYSA-N
MW459.51 g/mol
LogP2.57
Rot. Bonds7

About 4-acetamido-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1-dimethylimidazole-2-carboxamide

4-acetamido-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1-dimethylimidazole-2-carboxamide (PubChem CID 87095009) has the molecular formula C20H22FN7O3S and a molecular weight of 459.51 g/mol. Its IUPAC name is 4-acetamido-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1-dimethylimidazole-2-carboxamide.

Molecular Properties

Compound Name4-acetamido-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1-dimethylimidazole-2-carboxamide
PubChem CID87095009
Molecular FormulaC20H22FN7O3S
Molecular Weight459.51 g/mol
Exact Mass459.15
IUPAC Name4-acetamido-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1-dimethylimidazole-2-carboxamide
SMILESCC(=O)Nc1cn(C)c(C(=O)N(C)Cc2csc(NC(=O)NCc3cccc(F)c3)n2)n1
InChIInChI=1S/C20H22FN7O3S/c1-12(29)23-16-10-27(2)17(25-16)18(30)28(3)9-15-11-32-20(24-15)26-19(31)22-8-13-5-4-6-14(21)7-13/h4-7,10-11H,8-9H2,1-3H3,(H,23,29)(H2,22,24,26,31)
InChIKeyZXWMVFOKVYXUQL-UHFFFAOYSA-N
XLogP2.57
TPSA121.25 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-acetamido-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1-dimethylimidazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1-dimethylimidazole-2-carboxamide?
The IUPAC name of 4-acetamido-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1-dimethylimidazole-2-carboxamide (CID 87095009) is 4-acetamido-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1-dimethylimidazole-2-carboxamide.
What is the SMILES notation for 4-acetamido-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1-dimethylimidazole-2-carboxamide?
The canonical SMILES for 4-acetamido-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1-dimethylimidazole-2-carboxamide is CC(=O)Nc1cn(C)c(C(=O)N(C)Cc2csc(NC(=O)NCc3cccc(F)c3)n2)n1.
What is the InChIKey of 4-acetamido-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1-dimethylimidazole-2-carboxamide?
The InChIKey is ZXWMVFOKVYXUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN7O3S/c1-12(29)23-16-10-27(2)17(25-16)18(30)28(3)9-15-11-32-20(24-15)26-19(31)22-8-13-5-4-6-14(21)7-13/h4-7,10-11H,8-9H2,1-3H3,(H,23,29)(H2,22,24,26,31).
What are the key properties of 4-acetamido-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1-dimethylimidazole-2-carboxamide?
4-acetamido-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1-dimethylimidazole-2-carboxamide has a molecular weight of 459.51 g/mol, XLogP of 2.57, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[[2-[(3-fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]methyl]-N,1-dimethylimidazole-2-carboxamide is sourced from PubChem (CID 87095009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).