4-tert-butyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide

C22H21N3OS — CID 40506192

IUPAC4-tert-butyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(-c3cn4ccsc4n3)c2)cc1
InChIInChI=1S/C22H21N3OS/c1-22(2,3)17-9-7-15(8-10-17)20(26)23-18-6-4-5-16(13-18)19-14-25-11-12-27-21(25)24-19/h4-14H,1-3H3,(H,23,26)
InChIKeyJEWHUHBWFYGCBW-UHFFFAOYSA-N
MW375.50 g/mol
LogP5.61
Rot. Bonds3

About 4-tert-butyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide

4-tert-butyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide (PubChem CID 40506192) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
PubChem CID40506192
Molecular FormulaC22H21N3OS
Molecular Weight375.50 g/mol
Exact Mass375.14
IUPAC Name4-tert-butyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(-c3cn4ccsc4n3)c2)cc1
InChIInChI=1S/C22H21N3OS/c1-22(2,3)17-9-7-15(8-10-17)20(26)23-18-6-4-5-16(13-18)19-14-25-11-12-27-21(25)24-19/h4-14H,1-3H3,(H,23,26)
InChIKeyJEWHUHBWFYGCBW-UHFFFAOYSA-N
XLogP5.61
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.50
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-iodobenzamide
CID 983313
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4-dimethylbenzamide
CID 40506197
3-(2,2-dimethylpropanoylamino)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 30535436
N-[3-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)phenyl]-4-tert-butylbenzamide
CID 11397050
4-tert-butyl-N-[2-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-2-oxoethyl]benzamide
CID 46674582
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137147397
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167387
4-[[3-[8-(4-tert-butylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]carbamoyl]benzoic acid
CID 90656833
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-3-nitrobenzamide
CID 40506170
4-tert-butyl-N-[3-[8-(4-carbamoylanilino)imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 59754735
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbenzamide
CID 852128
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-methoxybenzamide
CID 3651637

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide (CID 40506192) is 4-tert-butyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide is CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3cn4ccsc4n3)c2)cc1.
What is the InChIKey of 4-tert-butyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide?
The InChIKey is JEWHUHBWFYGCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS/c1-22(2,3)17-9-7-15(8-10-17)20(26)23-18-6-4-5-16(13-18)19-14-25-11-12-27-21(25)24-19/h4-14H,1-3H3,(H,23,26).
What are the key properties of 4-tert-butyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide?
4-tert-butyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide has a molecular weight of 375.50 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide is sourced from PubChem (CID 40506192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).