3,4-dimethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide

C21H19N3OS — CID 40506377

IUPAC3,4-dimethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3cn4c(C)csc4n3)cc2)cc1C
InChIInChI=1S/C21H19N3OS/c1-13-4-5-17(10-14(13)2)20(25)22-18-8-6-16(7-9-18)19-11-24-15(3)12-26-21(24)23-19/h4-12H,1-3H3,(H,22,25)
InChIKeyXVIFHAAWHYSRNE-UHFFFAOYSA-N
MW361.47 g/mol
LogP5.24
Rot. Bonds3

About 3,4-dimethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide

3,4-dimethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide (PubChem CID 40506377) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is 3,4-dimethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
PubChem CID40506377
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC Name3,4-dimethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3cn4c(C)csc4n3)cc2)cc1C
InChIInChI=1S/C21H19N3OS/c1-13-4-5-17(10-14(13)2)20(25)22-18-8-6-16(7-9-18)19-11-24-15(3)12-26-21(24)23-19/h4-12H,1-3H3,(H,22,25)
InChIKeyXVIFHAAWHYSRNE-UHFFFAOYSA-N
XLogP5.24
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 40506385
4-tert-butyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 40691828
N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-4-sulfamoylbenzamide
CID 7488144
2-benzoyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 41427247
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 43936475
2,3-dimethoxy-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 40506337
2-ethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide
CID 18562197
3-chloro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 40506297
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 7151281
6-chloro-N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]pyridine-3-carboxamide
CID 7151276
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
N-(4-fluorophenyl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271703

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide (CID 40506377) is 3,4-dimethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(-c3cn4c(C)csc4n3)cc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide?
The InChIKey is XVIFHAAWHYSRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-13-4-5-17(10-14(13)2)20(25)22-18-8-6-16(7-9-18)19-11-24-15(3)12-26-21(24)23-19/h4-12H,1-3H3,(H,22,25).
What are the key properties of 3,4-dimethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide?
3,4-dimethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide has a molecular weight of 361.47 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide is sourced from PubChem (CID 40506377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).