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

C23H22N6O2S — CID 66998949

IUPAC6-methyl-N-[[(1S,2S,5R)-3-(2-pyrazol-1-ylbenzoyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1ccccc1-n1cccn1
InChIInChI=1S/C23H22N6O2S/c1-14-20(27-9-10-32-23(27)26-14)21(30)24-12-19-17-11-15(17)13-28(19)22(31)16-5-2-3-6-18(16)29-8-4-7-25-29/h2-10,15,17,19H,11-13H2,1H3,(H,24,30)/t15-,17-,19+/m0/s1
InChIKeyZIGDYQJVGWTZRS-VDZJLULYSA-N
MW446.54 g/mol
LogP2.78
Rot. Bonds5

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

6-methyl-N-[[(1S,2S,5R)-3-(2-pyrazol-1-ylbenzoyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 66998949) has the molecular formula C23H22N6O2S and a molecular weight of 446.54 g/mol. Its IUPAC name is 6-methyl-N-[[(1S,2S,5R)-3-(2-pyrazol-1-ylbenzoyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[[(1S,2S,5R)-3-(2-pyrazol-1-ylbenzoyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID66998949
Molecular FormulaC23H22N6O2S
Molecular Weight446.54 g/mol
Exact Mass446.15
IUPAC Name6-methyl-N-[[(1S,2S,5R)-3-(2-pyrazol-1-ylbenzoyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1ccccc1-n1cccn1
InChIInChI=1S/C23H22N6O2S/c1-14-20(27-9-10-32-23(27)26-14)21(30)24-12-19-17-11-15(17)13-28(19)22(31)16-5-2-3-6-18(16)29-8-4-7-25-29/h2-10,15,17,19H,11-13H2,1H3,(H,24,30)/t15-,17-,19+/m0/s1
InChIKeyZIGDYQJVGWTZRS-VDZJLULYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methyl-N-[[(1S,2S,5R)-3-(2-pyrazol-1-ylbenzoyl)-3-azabicyclo[3.1.0]hexan-2-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,2S,5R)-3-(2-pyrazol-1-ylbenzoyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-methyl-N-[[(1S,2S,5R)-3-(2-pyrazol-1-ylbenzoyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 66998949) is 6-methyl-N-[[(1S,2S,5R)-3-(2-pyrazol-1-ylbenzoyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-methyl-N-[[(1S,2S,5R)-3-(2-pyrazol-1-ylbenzoyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-methyl-N-[[(1S,2S,5R)-3-(2-pyrazol-1-ylbenzoyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc2sccn2c1C(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1ccccc1-n1cccn1.
What is the InChIKey of 6-methyl-N-[[(1S,2S,5R)-3-(2-pyrazol-1-ylbenzoyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is ZIGDYQJVGWTZRS-VDZJLULYSA-N. The full InChI is InChI=1S/C23H22N6O2S/c1-14-20(27-9-10-32-23(27)26-14)21(30)24-12-19-17-11-15(17)13-28(19)22(31)16-5-2-3-6-18(16)29-8-4-7-25-29/h2-10,15,17,19H,11-13H2,1H3,(H,24,30)/t15-,17-,19+/m0/s1.
What are the key properties of 6-methyl-N-[[(1S,2S,5R)-3-(2-pyrazol-1-ylbenzoyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-methyl-N-[[(1S,2S,5R)-3-(2-pyrazol-1-ylbenzoyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 446.54 g/mol, XLogP of 2.78, 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,2S,5R)-3-(2-pyrazol-1-ylbenzoyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 66998949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).