N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide

C20H20N6OS — CID 42592532

IUPACN-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide
SMILESCc1sc2nc(CNC(=O)c3cn(C/C=C/c4ccccc4)nn3)cn2c1C
InChIInChI=1S/C20H20N6OS/c1-14-15(2)28-20-22-17(12-26(14)20)11-21-19(27)18-13-25(24-23-18)10-6-9-16-7-4-3-5-8-16/h3-9,12-13H,10-11H2,1-2H3,(H,21,27)/b9-6+
InChIKeyULZBTNNPDHAZRH-RMKNXTFCSA-N
MW392.49 g/mol
LogP3.25
Rot. Bonds6

About N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide

N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide (PubChem CID 42592532) has the molecular formula C20H20N6OS and a molecular weight of 392.49 g/mol. Its IUPAC name is N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide
PubChem CID42592532
Molecular FormulaC20H20N6OS
Molecular Weight392.49 g/mol
Exact Mass392.14
IUPAC NameN-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide
SMILESCc1sc2nc(CNC(=O)c3cn(C/C=C/c4ccccc4)nn3)cn2c1C
InChIInChI=1S/C20H20N6OS/c1-14-15(2)28-20-22-17(12-26(14)20)11-21-19(27)18-13-25(24-23-18)10-6-9-16-7-4-3-5-8-16/h3-9,12-13H,10-11H2,1-2H3,(H,21,27)/b9-6+
InChIKeyULZBTNNPDHAZRH-RMKNXTFCSA-N
XLogP3.25
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-1-naphthalen-1-ylethyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide
CID 42158735
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CID 141378131
N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide
CID 25385733
N-methyl-1-[(E)-3-phenylprop-2-enyl]-N-[(1S)-1-pyrimidin-4-ylethyl]triazole-4-carboxamide
CID 95708163
N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide
CID 156584738
2-[4-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]triazol-1-yl]acetic acid
CID 66290029
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CID 59757295
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CID 18152907
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide
CID 95711190
N-[[(3R)-1-ethyl-5-oxopyrrolidin-3-yl]methyl]-N-methyl-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide
CID 95725024
2-[4-[(5-ethylthiophen-2-yl)methylcarbamoyl]triazol-1-yl]acetic acid
CID 106005740
N-cyclopropyl-1-[2-[(2R)-1-[(E)-3-phenylprop-2-enyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide?
The IUPAC name of N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide (CID 42592532) is N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide.
What is the SMILES notation for N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide?
The canonical SMILES for N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide is Cc1sc2nc(CNC(=O)c3cn(C/C=C/c4ccccc4)nn3)cn2c1C.
What is the InChIKey of N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide?
The InChIKey is ULZBTNNPDHAZRH-RMKNXTFCSA-N. The full InChI is InChI=1S/C20H20N6OS/c1-14-15(2)28-20-22-17(12-26(14)20)11-21-19(27)18-13-25(24-23-18)10-6-9-16-7-4-3-5-8-16/h3-9,12-13H,10-11H2,1-2H3,(H,21,27)/b9-6+.
What are the key properties of N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide?
N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide has a molecular weight of 392.49 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1-[(E)-3-phenylprop-2-enyl]triazole-4-carboxamide is sourced from PubChem (CID 42592532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).