N-[3-[3-[3-[[5-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)-2-methoxybenzoyl]amino]propylamino]propylcarbamoyl]-4-methoxyphenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

C34H35N9O6S2 — CID 123934559

IUPACN-[3-[3-[3-[[5-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)-2-methoxybenzoyl]amino]propylamino]propylcarbamoyl]-4-methoxyphenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOc1ccc(NC(=O)c2cn3ccsc3n2)cc1C(=O)NCCCNCCCNC(=O)c1cc(NC(=O)c2cn3ccsc3n2)ccc1OC
InChIInChI=1S/C34H35N9O6S2/c1-48-27-7-5-21(38-31(46)25-19-42-13-15-50-33(42)40-25)17-23(27)29(44)36-11-3-9-35-10-4-12-37-30(45)24-18-22(6-8-28(24)49-2)39-32(47)26-20-43-14-16-51-34(43)41-26/h5-8,13-20,35H,3-4,9-12H2,1-2H3,(H,36,44)(H,37,45)(H,38,46)(H,39,47)
InChIKeyCYJPXNTUQRLIHK-UHFFFAOYSA-N
MW729.85 g/mol
LogP4.16
Rot. Bonds16

About N-[3-[3-[3-[[5-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)-2-methoxybenzoyl]amino]propylamino]propylcarbamoyl]-4-methoxyphenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-[3-[3-[3-[[5-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)-2-methoxybenzoyl]amino]propylamino]propylcarbamoyl]-4-methoxyphenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 123934559) has the molecular formula C34H35N9O6S2 and a molecular weight of 729.85 g/mol. Its IUPAC name is N-[3-[3-[3-[[5-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)-2-methoxybenzoyl]amino]propylamino]propylcarbamoyl]-4-methoxyphenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[3-[3-[3-[[5-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)-2-methoxybenzoyl]amino]propylamino]propylcarbamoyl]-4-methoxyphenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID123934559
Molecular FormulaC34H35N9O6S2
Molecular Weight729.85 g/mol
Exact Mass729.22
IUPAC NameN-[3-[3-[3-[[5-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)-2-methoxybenzoyl]amino]propylamino]propylcarbamoyl]-4-methoxyphenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCOc1ccc(NC(=O)c2cn3ccsc3n2)cc1C(=O)NCCCNCCCNC(=O)c1cc(NC(=O)c2cn3ccsc3n2)ccc1OC
InChIInChI=1S/C34H35N9O6S2/c1-48-27-7-5-21(38-31(46)25-19-42-13-15-50-33(42)40-25)17-23(27)29(44)36-11-3-9-35-10-4-12-37-30(45)24-18-22(6-8-28(24)49-2)39-32(47)26-20-43-14-16-51-34(43)41-26/h5-8,13-20,35H,3-4,9-12H2,1-2H3,(H,36,44)(H,37,45)(H,38,46)(H,39,47)
InChIKeyCYJPXNTUQRLIHK-UHFFFAOYSA-N
XLogP4.16
TPSA181.49 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.85
LogP ≤ 54.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze N-[3-[3-[3-[[5-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)-2-methoxybenzoyl]amino]propylamino]propylcarbamoyl]-4-methoxyphenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide with MolForge

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Related Compounds

N-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 130283677
N-(3-fluorophenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 110862757
N-(4-phenoxyphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 110862652
N-(3-aminopropyl)-2-methoxy-5-(1,3-thiazol-2-ylcarbamoylamino)benzamide
CID 87134001
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 70770649
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzamide
CID 3651637
4-N-(3,4-dimethoxyphenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045361
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-4-(furan-2-yl)pyridine-2-carboxamide
CID 66727957
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-ethynylpyridine-3-carboxamide
CID 87126859
N-[3-[2-[(1-amino-2,2-dimethylpropylidene)amino]-4-methoxy-3-methylbutan-2-yl]-4-fluorophenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 123475676
4-N-(3,4-dimethoxyphenyl)-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048755
N-[3-(3-aminopropylcarbamoyl)-4-methoxyphenyl]-5-cyclopropylpyridine-3-carboxamide
CID 66728054

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[3-[[5-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)-2-methoxybenzoyl]amino]propylamino]propylcarbamoyl]-4-methoxyphenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[3-[3-[3-[[5-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)-2-methoxybenzoyl]amino]propylamino]propylcarbamoyl]-4-methoxyphenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 123934559) is N-[3-[3-[3-[[5-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)-2-methoxybenzoyl]amino]propylamino]propylcarbamoyl]-4-methoxyphenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[3-[3-[3-[[5-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)-2-methoxybenzoyl]amino]propylamino]propylcarbamoyl]-4-methoxyphenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[3-[3-[3-[[5-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)-2-methoxybenzoyl]amino]propylamino]propylcarbamoyl]-4-methoxyphenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is COc1ccc(NC(=O)c2cn3ccsc3n2)cc1C(=O)NCCCNCCCNC(=O)c1cc(NC(=O)c2cn3ccsc3n2)ccc1OC.
What is the InChIKey of N-[3-[3-[3-[[5-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)-2-methoxybenzoyl]amino]propylamino]propylcarbamoyl]-4-methoxyphenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is CYJPXNTUQRLIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N9O6S2/c1-48-27-7-5-21(38-31(46)25-19-42-13-15-50-33(42)40-25)17-23(27)29(44)36-11-3-9-35-10-4-12-37-30(45)24-18-22(6-8-28(24)49-2)39-32(47)26-20-43-14-16-51-34(43)41-26/h5-8,13-20,35H,3-4,9-12H2,1-2H3,(H,36,44)(H,37,45)(H,38,46)(H,39,47).
What are the key properties of N-[3-[3-[3-[[5-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)-2-methoxybenzoyl]amino]propylamino]propylcarbamoyl]-4-methoxyphenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[3-[3-[3-[[5-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)-2-methoxybenzoyl]amino]propylamino]propylcarbamoyl]-4-methoxyphenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 729.85 g/mol, XLogP of 4.16, 16 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[3-[[5-(imidazo[2,1-b][1,3]thiazole-6-carbonylamino)-2-methoxybenzoyl]amino]propylamino]propylcarbamoyl]-4-methoxyphenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 123934559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).