3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide

C21H27N5O3S2 — CID 60615839

IUPAC3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCCc1ccc(-c2nc(NC(=O)CCNS(=O)(=O)c3cn(C)c(C)n3)sc2C)cc1
InChIInChI=1S/C21H27N5O3S2/c1-5-6-16-7-9-17(10-8-16)20-14(2)30-21(25-20)24-18(27)11-12-22-31(28,29)19-13-26(4)15(3)23-19/h7-10,13,22H,5-6,11-12H2,1-4H3,(H,24,25,27)
InChIKeyXYYFBGWHCFZZBZ-UHFFFAOYSA-N
MW461.61 g/mol
LogP3.42
Rot. Bonds9

About 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide

3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 60615839) has the molecular formula C21H27N5O3S2 and a molecular weight of 461.61 g/mol. Its IUPAC name is 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID60615839
Molecular FormulaC21H27N5O3S2
Molecular Weight461.61 g/mol
Exact Mass461.16
IUPAC Name3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCCc1ccc(-c2nc(NC(=O)CCNS(=O)(=O)c3cn(C)c(C)n3)sc2C)cc1
InChIInChI=1S/C21H27N5O3S2/c1-5-6-16-7-9-17(10-8-16)20-14(2)30-21(25-20)24-18(27)11-12-22-31(28,29)19-13-26(4)15(3)23-19/h7-10,13,22H,5-6,11-12H2,1-4H3,(H,24,25,27)
InChIKeyXYYFBGWHCFZZBZ-UHFFFAOYSA-N
XLogP3.42
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.61
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(methylamino)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 119681848
3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide
CID 46668027
N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 17498432
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 19172938
4-amino-3-methoxy-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]butanamide
CID 120586855
N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 17442649
methyl 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate
CID 62062661
2-amino-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide
CID 119955925
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-2-(4-propylphenoxy)acetamide
CID 19178456
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 19210425
3-[(4-methylphenyl)sulfonylamino]-N-(4-propylphenyl)propanamide
CID 9294290
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678

Frequently Asked Questions

What is the IUPAC name of 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide (CID 60615839) is 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide is CCCc1ccc(-c2nc(NC(=O)CCNS(=O)(=O)c3cn(C)c(C)n3)sc2C)cc1.
What is the InChIKey of 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is XYYFBGWHCFZZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3S2/c1-5-6-16-7-9-17(10-8-16)20-14(2)30-21(25-20)24-18(27)11-12-22-31(28,29)19-13-26(4)15(3)23-19/h7-10,13,22H,5-6,11-12H2,1-4H3,(H,24,25,27).
What are the key properties of 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide?
3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 461.61 g/mol, XLogP of 3.42, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 60615839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).