3-ethyl-N-[[(1S,2S,5R)-3-(2-methyl-4-phenylpyrimidine-5-carbonyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

C26H26N6O2S — CID 66998706

IUPAC3-ethyl-N-[[(1S,2S,5R)-3-(2-methyl-4-phenylpyrimidine-5-carbonyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCCc1csc2ncc(C(=O)NC[C@@H]3[C@H]4C[C@H]4CN3C(=O)c3cnc(C)nc3-c3ccccc3)n12
InChIInChI=1S/C26H26N6O2S/c1-3-18-14-35-26-29-12-22(32(18)26)24(33)28-11-21-19-9-17(19)13-31(21)25(34)20-10-27-15(2)30-23(20)16-7-5-4-6-8-16/h4-8,10,12,14,17,19,21H,3,9,11,13H2,1-2H3,(H,28,33)/t17-,19-,21+/m0/s1
InChIKeyNVKAURBKHXUHDI-HFSMHLIXSA-N
MW486.60 g/mol
LogP3.61
Rot. Bonds6

About 3-ethyl-N-[[(1S,2S,5R)-3-(2-methyl-4-phenylpyrimidine-5-carbonyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

3-ethyl-N-[[(1S,2S,5R)-3-(2-methyl-4-phenylpyrimidine-5-carbonyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 66998706) has the molecular formula C26H26N6O2S and a molecular weight of 486.60 g/mol. Its IUPAC name is 3-ethyl-N-[[(1S,2S,5R)-3-(2-methyl-4-phenylpyrimidine-5-carbonyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[[(1S,2S,5R)-3-(2-methyl-4-phenylpyrimidine-5-carbonyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID66998706
Molecular FormulaC26H26N6O2S
Molecular Weight486.60 g/mol
Exact Mass486.18
IUPAC Name3-ethyl-N-[[(1S,2S,5R)-3-(2-methyl-4-phenylpyrimidine-5-carbonyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCCc1csc2ncc(C(=O)NC[C@@H]3[C@H]4C[C@H]4CN3C(=O)c3cnc(C)nc3-c3ccccc3)n12
InChIInChI=1S/C26H26N6O2S/c1-3-18-14-35-26-29-12-22(32(18)26)24(33)28-11-21-19-9-17(19)13-31(21)25(34)20-10-27-15(2)30-23(20)16-7-5-4-6-8-16/h4-8,10,12,14,17,19,21H,3,9,11,13H2,1-2H3,(H,28,33)/t17-,19-,21+/m0/s1
InChIKeyNVKAURBKHXUHDI-HFSMHLIXSA-N
XLogP3.61
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.60
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-ethyl-N-[[(1S,2S,5R)-3-(2-methyl-4-phenylpyrimidine-5-carbonyl)-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 3-ethyl-N-[[(1S,2S,5R)-3-(2-methyl-4-phenylpyrimidine-5-carbonyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 3-ethyl-N-[[(1S,2S,5R)-3-(2-methyl-4-phenylpyrimidine-5-carbonyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 66998706) is 3-ethyl-N-[[(1S,2S,5R)-3-(2-methyl-4-phenylpyrimidine-5-carbonyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 3-ethyl-N-[[(1S,2S,5R)-3-(2-methyl-4-phenylpyrimidine-5-carbonyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 3-ethyl-N-[[(1S,2S,5R)-3-(2-methyl-4-phenylpyrimidine-5-carbonyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is CCc1csc2ncc(C(=O)NC[C@@H]3[C@H]4C[C@H]4CN3C(=O)c3cnc(C)nc3-c3ccccc3)n12.
What is the InChIKey of 3-ethyl-N-[[(1S,2S,5R)-3-(2-methyl-4-phenylpyrimidine-5-carbonyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is NVKAURBKHXUHDI-HFSMHLIXSA-N. The full InChI is InChI=1S/C26H26N6O2S/c1-3-18-14-35-26-29-12-22(32(18)26)24(33)28-11-21-19-9-17(19)13-31(21)25(34)20-10-27-15(2)30-23(20)16-7-5-4-6-8-16/h4-8,10,12,14,17,19,21H,3,9,11,13H2,1-2H3,(H,28,33)/t17-,19-,21+/m0/s1.
What are the key properties of 3-ethyl-N-[[(1S,2S,5R)-3-(2-methyl-4-phenylpyrimidine-5-carbonyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
3-ethyl-N-[[(1S,2S,5R)-3-(2-methyl-4-phenylpyrimidine-5-carbonyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 486.60 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[[(1S,2S,5R)-3-(2-methyl-4-phenylpyrimidine-5-carbonyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 66998706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).