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

C25H24N6O2S — CID 67081352

IUPAC6-methyl-N-[[(1S,3S,5S)-2-(2-methyl-4-phenylpyrimidine-5-carbonyl)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1ncc(C(=O)N2[C@H](CNC(=O)c3c(C)nc4sccn34)C[C@@H]3C[C@@H]32)c(-c2ccccc2)n1
InChIInChI=1S/C25H24N6O2S/c1-14-22(30-8-9-34-25(30)28-14)23(32)27-12-18-10-17-11-20(17)31(18)24(33)19-13-26-15(2)29-21(19)16-6-4-3-5-7-16/h3-9,13,17-18,20H,10-12H2,1-2H3,(H,27,32)/t17-,18+,20+/m1/s1
InChIKeyNAGXUKYONQYLQK-HBFSDRIKSA-N
MW472.57 g/mol
LogP3.50
Rot. Bonds5

About 6-methyl-N-[[(1S,3S,5S)-2-(2-methyl-4-phenylpyrimidine-5-carbonyl)-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-methyl-4-phenylpyrimidine-5-carbonyl)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 67081352) has the molecular formula C25H24N6O2S and a molecular weight of 472.57 g/mol. Its IUPAC name is 6-methyl-N-[[(1S,3S,5S)-2-(2-methyl-4-phenylpyrimidine-5-carbonyl)-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-methyl-4-phenylpyrimidine-5-carbonyl)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID67081352
Molecular FormulaC25H24N6O2S
Molecular Weight472.57 g/mol
Exact Mass472.17
IUPAC Name6-methyl-N-[[(1S,3S,5S)-2-(2-methyl-4-phenylpyrimidine-5-carbonyl)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1ncc(C(=O)N2[C@H](CNC(=O)c3c(C)nc4sccn34)C[C@@H]3C[C@@H]32)c(-c2ccccc2)n1
InChIInChI=1S/C25H24N6O2S/c1-14-22(30-8-9-34-25(30)28-14)23(32)27-12-18-10-17-11-20(17)31(18)24(33)19-13-26-15(2)29-21(19)16-6-4-3-5-7-16/h3-9,13,17-18,20H,10-12H2,1-2H3,(H,27,32)/t17-,18+,20+/m1/s1
InChIKeyNAGXUKYONQYLQK-HBFSDRIKSA-N
XLogP3.50
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methyl-N-[[(1S,3S,5S)-2-(2-methyl-4-phenylpyrimidine-5-carbonyl)-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-methyl-4-phenylpyrimidine-5-carbonyl)-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-methyl-4-phenylpyrimidine-5-carbonyl)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 67081352) is 6-methyl-N-[[(1S,3S,5S)-2-(2-methyl-4-phenylpyrimidine-5-carbonyl)-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-methyl-4-phenylpyrimidine-5-carbonyl)-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-methyl-4-phenylpyrimidine-5-carbonyl)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1ncc(C(=O)N2[C@H](CNC(=O)c3c(C)nc4sccn34)C[C@@H]3C[C@@H]32)c(-c2ccccc2)n1.
What is the InChIKey of 6-methyl-N-[[(1S,3S,5S)-2-(2-methyl-4-phenylpyrimidine-5-carbonyl)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is NAGXUKYONQYLQK-HBFSDRIKSA-N. The full InChI is InChI=1S/C25H24N6O2S/c1-14-22(30-8-9-34-25(30)28-14)23(32)27-12-18-10-17-11-20(17)31(18)24(33)19-13-26-15(2)29-21(19)16-6-4-3-5-7-16/h3-9,13,17-18,20H,10-12H2,1-2H3,(H,27,32)/t17-,18+,20+/m1/s1.
What are the key properties of 6-methyl-N-[[(1S,3S,5S)-2-(2-methyl-4-phenylpyrimidine-5-carbonyl)-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-methyl-4-phenylpyrimidine-5-carbonyl)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 3.50, 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-methyl-4-phenylpyrimidine-5-carbonyl)-2-azabicyclo[3.1.0]hexan-3-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 67081352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).