N-(4-cyanophenyl)-N-(2-methoxyethyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide

C17H16N4O2S — CID 71909687

IUPACN-(4-cyanophenyl)-N-(2-methoxyethyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCOCCN(C(=O)c1sc2nccn2c1C)c1ccc(C#N)cc1
InChIInChI=1S/C17H16N4O2S/c1-12-15(24-17-19-7-8-20(12)17)16(22)21(9-10-23-2)14-5-3-13(11-18)4-6-14/h3-8H,9-10H2,1-2H3
InChIKeyDVSSZWSCBPZQLN-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.87
Rot. Bonds5

About N-(4-cyanophenyl)-N-(2-methoxyethyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide

N-(4-cyanophenyl)-N-(2-methoxyethyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 71909687) has the molecular formula C17H16N4O2S and a molecular weight of 340.41 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N-(2-methoxyethyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N-(2-methoxyethyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID71909687
Molecular FormulaC17H16N4O2S
Molecular Weight340.41 g/mol
Exact Mass340.10
IUPAC NameN-(4-cyanophenyl)-N-(2-methoxyethyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCOCCN(C(=O)c1sc2nccn2c1C)c1ccc(C#N)cc1
InChIInChI=1S/C17H16N4O2S/c1-12-15(24-17-19-7-8-20(12)17)16(22)21(9-10-23-2)14-5-3-13(11-18)4-6-14/h3-8H,9-10H2,1-2H3
InChIKeyDVSSZWSCBPZQLN-UHFFFAOYSA-N
XLogP2.87
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N-(2-methoxyethyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-N-(2-methoxyethyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 71909687) is N-(4-cyanophenyl)-N-(2-methoxyethyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-N-(2-methoxyethyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-N-(2-methoxyethyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide is COCCN(C(=O)c1sc2nccn2c1C)c1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N-(2-methoxyethyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is DVSSZWSCBPZQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S/c1-12-15(24-17-19-7-8-20(12)17)16(22)21(9-10-23-2)14-5-3-13(11-18)4-6-14/h3-8H,9-10H2,1-2H3.
What are the key properties of N-(4-cyanophenyl)-N-(2-methoxyethyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
N-(4-cyanophenyl)-N-(2-methoxyethyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N-(2-methoxyethyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 71909687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).