6-[4-[(4-methoxybenzoyl)amino]phenyl]-N,N-dimethylimidazo[2,1-b][1,3]thiazole-3-carboxamide

C22H20N4O3S — CID 46396472

IUPAC6-[4-[(4-methoxybenzoyl)amino]phenyl]-N,N-dimethylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3cn4c(C(=O)N(C)C)csc4n3)cc2)cc1
InChIInChI=1S/C22H20N4O3S/c1-25(2)21(28)19-13-30-22-24-18(12-26(19)22)14-4-8-16(9-5-14)23-20(27)15-6-10-17(29-3)11-7-15/h4-13H,1-3H3,(H,23,27)
InChIKeyUPMIDHFZIFPNLK-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.03
Rot. Bonds5

About 6-[4-[(4-methoxybenzoyl)amino]phenyl]-N,N-dimethylimidazo[2,1-b][1,3]thiazole-3-carboxamide

6-[4-[(4-methoxybenzoyl)amino]phenyl]-N,N-dimethylimidazo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 46396472) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 6-[4-[(4-methoxybenzoyl)amino]phenyl]-N,N-dimethylimidazo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(4-methoxybenzoyl)amino]phenyl]-N,N-dimethylimidazo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID46396472
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name6-[4-[(4-methoxybenzoyl)amino]phenyl]-N,N-dimethylimidazo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(-c3cn4c(C(=O)N(C)C)csc4n3)cc2)cc1
InChIInChI=1S/C22H20N4O3S/c1-25(2)21(28)19-13-30-22-24-18(12-26(19)22)14-4-8-16(9-5-14)23-20(27)15-6-10-17(29-3)11-7-15/h4-13H,1-3H3,(H,23,27)
InChIKeyUPMIDHFZIFPNLK-UHFFFAOYSA-N
XLogP4.03
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-methoxybenzoyl)amino]phenyl]-N,N-dimethylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 6-[4-[(4-methoxybenzoyl)amino]phenyl]-N,N-dimethylimidazo[2,1-b][1,3]thiazole-3-carboxamide (CID 46396472) is 6-[4-[(4-methoxybenzoyl)amino]phenyl]-N,N-dimethylimidazo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 6-[4-[(4-methoxybenzoyl)amino]phenyl]-N,N-dimethylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 6-[4-[(4-methoxybenzoyl)amino]phenyl]-N,N-dimethylimidazo[2,1-b][1,3]thiazole-3-carboxamide is COc1ccc(C(=O)Nc2ccc(-c3cn4c(C(=O)N(C)C)csc4n3)cc2)cc1.
What is the InChIKey of 6-[4-[(4-methoxybenzoyl)amino]phenyl]-N,N-dimethylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is UPMIDHFZIFPNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-25(2)21(28)19-13-30-22-24-18(12-26(19)22)14-4-8-16(9-5-14)23-20(27)15-6-10-17(29-3)11-7-15/h4-13H,1-3H3,(H,23,27).
What are the key properties of 6-[4-[(4-methoxybenzoyl)amino]phenyl]-N,N-dimethylimidazo[2,1-b][1,3]thiazole-3-carboxamide?
6-[4-[(4-methoxybenzoyl)amino]phenyl]-N,N-dimethylimidazo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-methoxybenzoyl)amino]phenyl]-N,N-dimethylimidazo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 46396472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).