N'-[(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide

C17H16N4O2S — CID 24559446

IUPACN'-[(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide
SMILESCc1cn2c(/C=C/C(=O)NNC(=O)c3ccccc3)c(C)nc2s1
InChIInChI=1S/C17H16N4O2S/c1-11-10-21-14(12(2)18-17(21)24-11)8-9-15(22)19-20-16(23)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,19,22)(H,20,23)/b9-8+
InChIKeyFQMSHWMZGXKRNA-CMDGGOBGSA-N
MW340.41 g/mol
LogP2.49
Rot. Bonds3

About N'-[(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide

N'-[(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide (PubChem CID 24559446) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N'-[(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide
PubChem CID24559446
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN'-[(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide
SMILESCc1cn2c(/C=C/C(=O)NNC(=O)c3ccccc3)c(C)nc2s1
InChIInChI=1S/C17H16N4O2S/c1-11-10-21-14(12(2)18-17(21)24-11)8-9-15(22)19-20-16(23)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,19,22)(H,20,23)/b9-8+
InChIKeyFQMSHWMZGXKRNA-CMDGGOBGSA-N
XLogP2.49
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-(2-methylpropyl)prop-2-enamide
CID 24559514
(E)-N-benzyl-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-N-methylprop-2-enamide
CID 24559360
(E)-N-(1-adamantyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
CID 24559342
(E)-N-[3-(benzimidazol-1-yl)propyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
CID 25358407
(Z)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enamide
CID 97433371
1-(2,4-difluorophenyl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one
CID 76855112
3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-2-methylprop-2-enal
CID 79330689
(1-cyanoindolizin-2-yl)methyl (E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoate
CID 75402462
N'-benzoyl-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carbohydrazide
CID 19164108
N'-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]benzohydrazide
CID 9414855
2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine
CID 76874394
4-methoxy-N'-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]benzohydrazide
CID 926990

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide?
The IUPAC name of N'-[(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide (CID 24559446) is N'-[(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide.
What is the SMILES notation for N'-[(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide?
The canonical SMILES for N'-[(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide is Cc1cn2c(/C=C/C(=O)NNC(=O)c3ccccc3)c(C)nc2s1.
What is the InChIKey of N'-[(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide?
The InChIKey is FQMSHWMZGXKRNA-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-11-10-21-14(12(2)18-17(21)24-11)8-9-15(22)19-20-16(23)13-6-4-3-5-7-13/h3-10H,1-2H3,(H,19,22)(H,20,23)/b9-8+.
What are the key properties of N'-[(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide?
N'-[(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide has a molecular weight of 340.41 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 24559446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).