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

C25H25N5O2S2 — CID 25183281

IUPAC6-methyl-N-[[(1S,2S,5R)-3-[2-methyl-5-(2-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)c2c(C)nc3sccn23)c(-c2ccccc2C)s1
InChIInChI=1S/C25H25N5O2S2/c1-13-6-4-5-7-17(13)22-20(28-15(3)34-22)24(32)30-12-16-10-18(16)19(30)11-26-23(31)21-14(2)27-25-29(21)8-9-33-25/h4-9,16,18-19H,10-12H2,1-3H3,(H,26,31)/t16-,18-,19+/m0/s1
InChIKeyOXMCFXXNBWGDJS-YTQUADARSA-N
MW491.64 g/mol
LogP4.34
Rot. Bonds5

About 6-methyl-N-[[(1S,2S,5R)-3-[2-methyl-5-(2-methylphenyl)-1,3-thiazole-4-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-methyl-5-(2-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 25183281) has the molecular formula C25H25N5O2S2 and a molecular weight of 491.64 g/mol. Its IUPAC name is 6-methyl-N-[[(1S,2S,5R)-3-[2-methyl-5-(2-methylphenyl)-1,3-thiazole-4-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-methyl-5-(2-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID25183281
Molecular FormulaC25H25N5O2S2
Molecular Weight491.64 g/mol
Exact Mass491.14
IUPAC Name6-methyl-N-[[(1S,2S,5R)-3-[2-methyl-5-(2-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)c2c(C)nc3sccn23)c(-c2ccccc2C)s1
InChIInChI=1S/C25H25N5O2S2/c1-13-6-4-5-7-17(13)22-20(28-15(3)34-22)24(32)30-12-16-10-18(16)19(30)11-26-23(31)21-14(2)27-25-29(21)8-9-33-25/h4-9,16,18-19H,10-12H2,1-3H3,(H,26,31)/t16-,18-,19+/m0/s1
InChIKeyOXMCFXXNBWGDJS-YTQUADARSA-N
XLogP4.34
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methyl-N-[[(1S,2S,5R)-3-[2-methyl-5-(2-methylphenyl)-1,3-thiazole-4-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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Related Compounds

N-[[(3S,3aS,6aR)-2-[5-(4-methoxyphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25154505
N-[[(1S,2S,5R)-3-[4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 66998605
N-[[(3S,3aS,6aR)-5-methyl-2-[2-(2-methylphenyl)-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25154547
N-[[(3S,3aS,6aR)-2-[5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25154461
6-methyl-N-[[(1S,2S,5R)-3-[2-(3-methylphenyl)thiophene-3-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 66998657
N-[[(1R,2S,5S)-3-[2-(3-hydroxypropyl)-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 44563904
N-[[(4R)-3-[5-(2-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25073719
N-[[(3S,3aS,6aR)-2-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25154116
(6-methylimidazo[2,1-b][1,3]thiazol-5-yl) N-[[(1S,2S,5R)-3-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]carbamate
CID 68633903
N-[[(1R,3S,4S)-2-[5-(3-fluoro-2-methylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[2.2.1]heptan-3-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 67286047
6-methyl-N-[[(1S,2S,5R)-3-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]pyrrolo[2,1-b][1,3]thiazole-7-carboxamide
CID 66997905
(6-methylimidazo[2,1-b][1,3]thiazol-5-yl) N-[[(3S,3aS,6aR)-2-[5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-5-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3-yl]methyl]carbamate
CID 67409779

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[(1S,2S,5R)-3-[2-methyl-5-(2-methylphenyl)-1,3-thiazole-4-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-methyl-5-(2-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 25183281) is 6-methyl-N-[[(1S,2S,5R)-3-[2-methyl-5-(2-methylphenyl)-1,3-thiazole-4-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-methyl-5-(2-methylphenyl)-1,3-thiazole-4-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-methyl-5-(2-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)c2c(C)nc3sccn23)c(-c2ccccc2C)s1.
What is the InChIKey of 6-methyl-N-[[(1S,2S,5R)-3-[2-methyl-5-(2-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is OXMCFXXNBWGDJS-YTQUADARSA-N. The full InChI is InChI=1S/C25H25N5O2S2/c1-13-6-4-5-7-17(13)22-20(28-15(3)34-22)24(32)30-12-16-10-18(16)19(30)11-26-23(31)21-14(2)27-25-29(21)8-9-33-25/h4-9,16,18-19H,10-12H2,1-3H3,(H,26,31)/t16-,18-,19+/m0/s1.
What are the key properties of 6-methyl-N-[[(1S,2S,5R)-3-[2-methyl-5-(2-methylphenyl)-1,3-thiazole-4-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-methyl-5-(2-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 491.64 g/mol, XLogP of 4.34, 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-methyl-5-(2-methylphenyl)-1,3-thiazole-4-carbonyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 25183281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).