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

C28H24N6O2S — CID 25183715

IUPAC6-methyl-N-[[(1S,2S,5R)-3-(2-phenyl-1,6-naphthyridine-3-carbonyl)-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)c1cc2cnccc2nc1-c1ccccc1
InChIInChI=1S/C28H24N6O2S/c1-16-25(33-9-10-37-28(33)31-16)26(35)30-14-23-20-12-19(20)15-34(23)27(36)21-11-18-13-29-8-7-22(18)32-24(21)17-5-3-2-4-6-17/h2-11,13,19-20,23H,12,14-15H2,1H3,(H,30,35)/t19-,20-,23+/m0/s1
InChIKeyRJGUNXWQKBBABI-SXWKCWPCSA-N
MW508.61 g/mol
LogP4.20
Rot. Bonds5

About 6-methyl-N-[[(1S,2S,5R)-3-(2-phenyl-1,6-naphthyridine-3-carbonyl)-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-phenyl-1,6-naphthyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 25183715) has the molecular formula C28H24N6O2S and a molecular weight of 508.61 g/mol. Its IUPAC name is 6-methyl-N-[[(1S,2S,5R)-3-(2-phenyl-1,6-naphthyridine-3-carbonyl)-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-phenyl-1,6-naphthyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID25183715
Molecular FormulaC28H24N6O2S
Molecular Weight508.61 g/mol
Exact Mass508.17
IUPAC Name6-methyl-N-[[(1S,2S,5R)-3-(2-phenyl-1,6-naphthyridine-3-carbonyl)-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)c1cc2cnccc2nc1-c1ccccc1
InChIInChI=1S/C28H24N6O2S/c1-16-25(33-9-10-37-28(33)31-16)26(35)30-14-23-20-12-19(20)15-34(23)27(36)21-11-18-13-29-8-7-22(18)32-24(21)17-5-3-2-4-6-17/h2-11,13,19-20,23H,12,14-15H2,1H3,(H,30,35)/t19-,20-,23+/m0/s1
InChIKeyRJGUNXWQKBBABI-SXWKCWPCSA-N
XLogP4.20
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.61
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methyl-N-[[(1S,2S,5R)-3-(2-phenyl-1,6-naphthyridine-3-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 6-methyl-N-[[(1S,2S,5R)-3-(2-phenyl-1,6-naphthyridine-3-carbonyl)-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-phenyl-1,6-naphthyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 25183715) is 6-methyl-N-[[(1S,2S,5R)-3-(2-phenyl-1,6-naphthyridine-3-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 6-methyl-N-[[(1S,2S,5R)-3-(2-phenyl-1,6-naphthyridine-3-carbonyl)-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-phenyl-1,6-naphthyridine-3-carbonyl)-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)c1cc2cnccc2nc1-c1ccccc1.
What is the InChIKey of 6-methyl-N-[[(1S,2S,5R)-3-(2-phenyl-1,6-naphthyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is RJGUNXWQKBBABI-SXWKCWPCSA-N. The full InChI is InChI=1S/C28H24N6O2S/c1-16-25(33-9-10-37-28(33)31-16)26(35)30-14-23-20-12-19(20)15-34(23)27(36)21-11-18-13-29-8-7-22(18)32-24(21)17-5-3-2-4-6-17/h2-11,13,19-20,23H,12,14-15H2,1H3,(H,30,35)/t19-,20-,23+/m0/s1.
What are the key properties of 6-methyl-N-[[(1S,2S,5R)-3-(2-phenyl-1,6-naphthyridine-3-carbonyl)-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-phenyl-1,6-naphthyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 508.61 g/mol, XLogP of 4.20, 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-phenyl-1,6-naphthyridine-3-carbonyl)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 25183715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).