N'-benzoyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbohydrazide

C20H16N4O2S — CID 19164108

IUPACN'-benzoyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccccc2)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C20H16N4O2S/c1-13-17(19(26)23-22-18(25)15-10-6-3-7-11-15)27-20-21-16(12-24(13)20)14-8-4-2-5-9-14/h2-12H,1H3,(H,22,25)(H,23,26)
InChIKeyDSZMFJURBMZMSG-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.45
Rot. Bonds3

About N'-benzoyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbohydrazide

N'-benzoyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbohydrazide (PubChem CID 19164108) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is N'-benzoyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbohydrazide.

Molecular Properties

Compound NameN'-benzoyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbohydrazide
PubChem CID19164108
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC NameN'-benzoyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccccc2)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C20H16N4O2S/c1-13-17(19(26)23-22-18(25)15-10-6-3-7-11-15)27-20-21-16(12-24(13)20)14-8-4-2-5-9-14/h2-12H,1H3,(H,22,25)(H,23,26)
InChIKeyDSZMFJURBMZMSG-UHFFFAOYSA-N
XLogP3.45
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-6-phenyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3610143
N-(1,3-benzothiazol-2-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 7080139
N-[(4-methoxyphenyl)methyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 19164089
N-(4-cyanophenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 19164164
N-[4-(dimethylamino)butyl]-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 39084732
(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)-morpholin-4-ylmethanone
CID 3245660
3-methyl-6-phenyl-N-[(4-phenylmethoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 121031695
1-[3-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanone
CID 19224511
N-(2-fluorophenyl)-6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 20861701
N-(1,3-benzodioxol-5-yl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3236662
butyl 4-[(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbonyl)amino]benzoate
CID 19164146
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 90626025

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbohydrazide?
The IUPAC name of N'-benzoyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbohydrazide (CID 19164108) is N'-benzoyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbohydrazide.
What is the SMILES notation for N'-benzoyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbohydrazide?
The canonical SMILES for N'-benzoyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbohydrazide is Cc1c(C(=O)NNC(=O)c2ccccc2)sc2nc(-c3ccccc3)cn12.
What is the InChIKey of N'-benzoyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbohydrazide?
The InChIKey is DSZMFJURBMZMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-13-17(19(26)23-22-18(25)15-10-6-3-7-11-15)27-20-21-16(12-24(13)20)14-8-4-2-5-9-14/h2-12H,1H3,(H,22,25)(H,23,26).
What are the key properties of N'-benzoyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbohydrazide?
N'-benzoyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbohydrazide has a molecular weight of 376.44 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbohydrazide is sourced from PubChem (CID 19164108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).