N-benzyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

C20H17N3OS — CID 134795851

IUPACN-benzyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCc1ccc(-c2cn3cc(C(=O)NCc4ccccc4)nc3s2)cc1
InChIInChI=1S/C20H17N3OS/c1-14-7-9-16(10-8-14)18-13-23-12-17(22-20(23)25-18)19(24)21-11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,21,24)
InChIKeyMXJCMCWJCWYRFI-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.30
Rot. Bonds4

About N-benzyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-benzyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 134795851) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is N-benzyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID134795851
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC NameN-benzyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESCc1ccc(-c2cn3cc(C(=O)NCc4ccccc4)nc3s2)cc1
InChIInChI=1S/C20H17N3OS/c1-14-7-9-16(10-8-14)18-13-23-12-17(22-20(23)25-18)19(24)21-11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,21,24)
InChIKeyMXJCMCWJCWYRFI-UHFFFAOYSA-N
XLogP4.30
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-phenylimidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134799600
2-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134795965
2-(4-methoxyphenyl)-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796452
2-[4-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134799413
N-(3-methoxypropyl)-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134797314
N-[(2-chlorophenyl)methyl]-2-phenylimidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796333
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134796480
N-(3-methoxypropyl)-2-phenylimidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798579
N-(cyclopropylmethyl)-2-phenylimidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798879
N-[(4-chlorophenyl)methyl]-2-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134797239
N-benzyl-6-(2,6-dimethoxyphenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42876569
N-[(3,4-difluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134798964

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-benzyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 134795851) is N-benzyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-benzyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-benzyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is Cc1ccc(-c2cn3cc(C(=O)NCc4ccccc4)nc3s2)cc1.
What is the InChIKey of N-benzyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is MXJCMCWJCWYRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-14-7-9-16(10-8-14)18-13-23-12-17(22-20(23)25-18)19(24)21-11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,21,24).
What are the key properties of N-benzyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-benzyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 134795851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).