6-methyl-N-[[(1S,3S,5S)-2-(2-pyrazol-1-ylbenzoyl)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

C23H22N6O2S — CID 67081346

IUPAC6-methyl-N-[[(1S,3S,5S)-2-(2-pyrazol-1-ylbenzoyl)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NC[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)c1ccccc1-n1cccn1
InChIInChI=1S/C23H22N6O2S/c1-14-20(27-9-10-32-23(27)26-14)21(30)24-13-16-11-15-12-19(15)29(16)22(31)17-5-2-3-6-18(17)28-8-4-7-25-28/h2-10,15-16,19H,11-13H2,1H3,(H,24,30)/t15-,16+,19+/m1/s1
InChIKeyWRHNJFXQMMMBGX-GJYPPUQNSA-N
MW446.54 g/mol
LogP2.92
Rot. Bonds5

About 6-methyl-N-[[(1S,3S,5S)-2-(2-pyrazol-1-ylbenzoyl)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

6-methyl-N-[[(1S,3S,5S)-2-(2-pyrazol-1-ylbenzoyl)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 67081346) has the molecular formula C23H22N6O2S and a molecular weight of 446.54 g/mol. Its IUPAC name is 6-methyl-N-[[(1S,3S,5S)-2-(2-pyrazol-1-ylbenzoyl)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[[(1S,3S,5S)-2-(2-pyrazol-1-ylbenzoyl)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID67081346
Molecular FormulaC23H22N6O2S
Molecular Weight446.54 g/mol
Exact Mass446.15
IUPAC Name6-methyl-N-[[(1S,3S,5S)-2-(2-pyrazol-1-ylbenzoyl)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NC[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)c1ccccc1-n1cccn1
InChIInChI=1S/C23H22N6O2S/c1-14-20(27-9-10-32-23(27)26-14)21(30)24-13-16-11-15-12-19(15)29(16)22(31)17-5-2-3-6-18(17)28-8-4-7-25-28/h2-10,15-16,19H,11-13H2,1H3,(H,24,30)/t15-,16+,19+/m1/s1
InChIKeyWRHNJFXQMMMBGX-GJYPPUQNSA-N
XLogP2.92
TPSA84.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methyl-N-[[(1S,3S,5S)-2-(2-pyrazol-1-ylbenzoyl)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[(1S,3S,5S)-2-(2-pyrazol-1-ylbenzoyl)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-methyl-N-[[(1S,3S,5S)-2-(2-pyrazol-1-ylbenzoyl)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 67081346) is 6-methyl-N-[[(1S,3S,5S)-2-(2-pyrazol-1-ylbenzoyl)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-methyl-N-[[(1S,3S,5S)-2-(2-pyrazol-1-ylbenzoyl)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-methyl-N-[[(1S,3S,5S)-2-(2-pyrazol-1-ylbenzoyl)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc2sccn2c1C(=O)NC[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)c1ccccc1-n1cccn1.
What is the InChIKey of 6-methyl-N-[[(1S,3S,5S)-2-(2-pyrazol-1-ylbenzoyl)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is WRHNJFXQMMMBGX-GJYPPUQNSA-N. The full InChI is InChI=1S/C23H22N6O2S/c1-14-20(27-9-10-32-23(27)26-14)21(30)24-13-16-11-15-12-19(15)29(16)22(31)17-5-2-3-6-18(17)28-8-4-7-25-28/h2-10,15-16,19H,11-13H2,1H3,(H,24,30)/t15-,16+,19+/m1/s1.
What are the key properties of 6-methyl-N-[[(1S,3S,5S)-2-(2-pyrazol-1-ylbenzoyl)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-methyl-N-[[(1S,3S,5S)-2-(2-pyrazol-1-ylbenzoyl)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 446.54 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[(1S,3S,5S)-2-(2-pyrazol-1-ylbenzoyl)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 67081346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).