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

C21H20N4OS — CID 45137593

IUPAC4-(dimethylamino)-N-[4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
SMILESCc1cn2cc(-c3ccc(NC(=O)c4ccc(N(C)C)cc4)cc3)nc2s1
InChIInChI=1S/C21H20N4OS/c1-14-12-25-13-19(23-21(25)27-14)15-4-8-17(9-5-15)22-20(26)16-6-10-18(11-7-16)24(2)3/h4-13H,1-3H3,(H,22,26)
InChIKeyDUESIZVOAXYXLA-UHFFFAOYSA-N
MW376.49 g/mol
LogP4.69
Rot. Bonds4

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

4-(dimethylamino)-N-[4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide (PubChem CID 45137593) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
PubChem CID45137593
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC Name4-(dimethylamino)-N-[4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
SMILESCc1cn2cc(-c3ccc(NC(=O)c4ccc(N(C)C)cc4)cc3)nc2s1
InChIInChI=1S/C21H20N4OS/c1-14-12-25-13-19(23-21(25)27-14)15-4-8-17(9-5-15)22-20(26)16-6-10-18(11-7-16)24(2)3/h4-13H,1-3H3,(H,22,26)
InChIKeyDUESIZVOAXYXLA-UHFFFAOYSA-N
XLogP4.69
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018309
3-[12-Methyl-8-(methylamino)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl]benzamide
CID 20823952
N-(3-(5-(2-(4-(4-ethylpiperazin-1-yl)phenylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)-2,6-difluorobenzamide
CID 46886321
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 685797
2-(4-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018313
N-[2-(diethylamino)ethyl]-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018572
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-1,3-thiazole-5-carboxamide
CID 25190513
N-(6-phenyl-5-imidazo[2,1-b]thiazolyl)benzamide
CID 786409
N-(3-(5-(2-(4-(2-(dimethylamino)ethyl)phenylamino)pyrimidin-4-yl)imidazo[2,1-b]thiazol-6-yl)phenyl)-2,6-difluorobenzamide
CID 46865992
4-acetamido-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]benzamide
CID 2460890
4-acetamido-N-[4-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-thiazolyl]benzamide
CID 2463285
7-(2-oxo-2-phenylethyl)-6-phenyl-7H-imidazo[2,1-b][1,3]thiazol-4-ium bromide
CID 2879421

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide (CID 45137593) is 4-(dimethylamino)-N-[4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide is Cc1cn2cc(-c3ccc(NC(=O)c4ccc(N(C)C)cc4)cc3)nc2s1.
What is the InChIKey of 4-(dimethylamino)-N-[4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide?
The InChIKey is DUESIZVOAXYXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c1-14-12-25-13-19(23-21(25)27-14)15-4-8-17(9-5-15)22-20(26)16-6-10-18(11-7-16)24(2)3/h4-13H,1-3H3,(H,22,26).
What are the key properties of 4-(dimethylamino)-N-[4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide?
4-(dimethylamino)-N-[4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide has a molecular weight of 376.49 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[4-(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide is sourced from PubChem (CID 45137593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).