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

C26H26FN5O2S2 — CID 67286047

IUPACN-[[(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
SMILESCc1nc(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2CNC(=O)c2c(C)nc3sccn23)c(-c2cccc(F)c2C)s1
InChIInChI=1S/C26H26FN5O2S2/c1-13-18(5-4-6-19(13)27)23-21(30-15(3)36-23)25(34)32-17-8-7-16(11-17)20(32)12-28-24(33)22-14(2)29-26-31(22)9-10-35-26/h4-6,9-10,16-17,20H,7-8,11-12H2,1-3H3,(H,28,33)/t16-,17+,20+/m0/s1
InChIKeyHMDJAPWAQZAFBI-SQGPQFPESA-N
MW523.66 g/mol
LogP5.01
Rot. Bonds5

About 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

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 (PubChem CID 67286047) has the molecular formula C26H26FN5O2S2 and a molecular weight of 523.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[(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
PubChem CID67286047
Molecular FormulaC26H26FN5O2S2
Molecular Weight523.66 g/mol
Exact Mass523.15
IUPAC NameN-[[(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
SMILESCc1nc(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2CNC(=O)c2c(C)nc3sccn23)c(-c2cccc(F)c2C)s1
InChIInChI=1S/C26H26FN5O2S2/c1-13-18(5-4-6-19(13)27)23-21(30-15(3)36-23)25(34)32-17-8-7-16(11-17)20(32)12-28-24(33)22-14(2)29-26-31(22)9-10-35-26/h4-6,9-10,16-17,20H,7-8,11-12H2,1-3H3,(H,28,33)/t16-,17+,20+/m0/s1
InChIKeyHMDJAPWAQZAFBI-SQGPQFPESA-N
XLogP5.01
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.66
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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
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
N-[[(2R)-1-[5-(3,5-difluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 67018176
2-bromo-N-[[(1R,3S,4S)-2-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[2.2.1]heptan-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 67285661
N-[[(4R)-3-[5-(4-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 25073410
6-chloro-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 24996618
[(1S,3S,5S)-3-(aminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-[5-(3-fluoro-2-methylphenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 67081765
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)-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-[[(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
(1S,3S,5R)-2-[5-(3-fluoro-2-methylphenyl)-2-methyl-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 67081764

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(C(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2CNC(=O)c2c(C)nc3sccn23)c(-c2cccc(F)c2C)s1.
What is the InChIKey of 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?
The InChIKey is HMDJAPWAQZAFBI-SQGPQFPESA-N. The full InChI is InChI=1S/C26H26FN5O2S2/c1-13-18(5-4-6-19(13)27)23-21(30-15(3)36-23)25(34)32-17-8-7-16(11-17)20(32)12-28-24(33)22-14(2)29-26-31(22)9-10-35-26/h4-6,9-10,16-17,20H,7-8,11-12H2,1-3H3,(H,28,33)/t16-,17+,20+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 523.66 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 67286047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).