N,N-dimethyl-6-[4-[(2-methylbenzoyl)amino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

C22H20N4O2S — CID 46396470

IUPACN,N-dimethyl-6-[4-[(2-methylbenzoyl)amino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1ccccc1C(=O)Nc1ccc(-c2cn3c(C(=O)N(C)C)csc3n2)cc1
InChIInChI=1S/C22H20N4O2S/c1-14-6-4-5-7-17(14)20(27)23-16-10-8-15(9-11-16)18-12-26-19(21(28)25(2)3)13-29-22(26)24-18/h4-13H,1-3H3,(H,23,27)
InChIKeyBAPKCOXAJQXLSI-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.33
Rot. Bonds4

About N,N-dimethyl-6-[4-[(2-methylbenzoyl)amino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide

N,N-dimethyl-6-[4-[(2-methylbenzoyl)amino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 46396470) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is N,N-dimethyl-6-[4-[(2-methylbenzoyl)amino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[4-[(2-methylbenzoyl)amino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID46396470
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC NameN,N-dimethyl-6-[4-[(2-methylbenzoyl)amino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1ccccc1C(=O)Nc1ccc(-c2cn3c(C(=O)N(C)C)csc3n2)cc1
InChIInChI=1S/C22H20N4O2S/c1-14-6-4-5-7-17(14)20(27)23-16-10-8-15(9-11-16)18-12-26-19(21(28)25(2)3)13-29-22(26)24-18/h4-13H,1-3H3,(H,23,27)
InChIKeyBAPKCOXAJQXLSI-UHFFFAOYSA-N
XLogP4.33
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[(4-methoxybenzoyl)amino]phenyl]-N,N-dimethylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 46396472
N-(4-acetamidophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271612
2-benzoyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 41427247
N-(4-chlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271771
N-(4-fluorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271703
N-(4-carbamoylphenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271610
N-(3,4-dichlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271784
2,3-dimethoxy-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 40506337
N-[3-(dimethylamino)propyl]-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271640
ethyl 4-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carbonyl]amino]benzoate
CID 42271723
N-(3,5-dichlorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271785
ethyl 6-(4-acetamidophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxylate
CID 170609686

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[4-[(2-methylbenzoyl)amino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N,N-dimethyl-6-[4-[(2-methylbenzoyl)amino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 46396470) is N,N-dimethyl-6-[4-[(2-methylbenzoyl)amino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[4-[(2-methylbenzoyl)amino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[4-[(2-methylbenzoyl)amino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is Cc1ccccc1C(=O)Nc1ccc(-c2cn3c(C(=O)N(C)C)csc3n2)cc1.
What is the InChIKey of N,N-dimethyl-6-[4-[(2-methylbenzoyl)amino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is BAPKCOXAJQXLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-14-6-4-5-7-17(14)20(27)23-16-10-8-15(9-11-16)18-12-26-19(21(28)25(2)3)13-29-22(26)24-18/h4-13H,1-3H3,(H,23,27).
What are the key properties of N,N-dimethyl-6-[4-[(2-methylbenzoyl)amino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide?
N,N-dimethyl-6-[4-[(2-methylbenzoyl)amino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 404.50 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[4-[(2-methylbenzoyl)amino]phenyl]imidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 46396470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).