N-[2-[[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-cyclopropylamino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

C23H24N6O2S2 — CID 25190082

IUPACN-[2-[[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-cyclopropylamino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1cccc(-c2sc(N)nc2C(=O)N(CCNC(=O)c2c(C)nc3sccn23)C2CC2)c1
InChIInChI=1S/C23H24N6O2S2/c1-13-4-3-5-15(12-13)19-17(27-22(24)33-19)21(31)28(16-6-7-16)9-8-25-20(30)18-14(2)26-23-29(18)10-11-32-23/h3-5,10-12,16H,6-9H2,1-2H3,(H2,24,27)(H,25,30)
InChIKeyOJPPEHNBHLHZLA-UHFFFAOYSA-N
MW480.62 g/mol
LogP3.75
Rot. Bonds7

About N-[2-[[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-cyclopropylamino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

N-[2-[[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-cyclopropylamino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 25190082) has the molecular formula C23H24N6O2S2 and a molecular weight of 480.62 g/mol. Its IUPAC name is N-[2-[[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-cyclopropylamino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-cyclopropylamino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID25190082
Molecular FormulaC23H24N6O2S2
Molecular Weight480.62 g/mol
Exact Mass480.14
IUPAC NameN-[2-[[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-cyclopropylamino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1cccc(-c2sc(N)nc2C(=O)N(CCNC(=O)c2c(C)nc3sccn23)C2CC2)c1
InChIInChI=1S/C23H24N6O2S2/c1-13-4-3-5-15(12-13)19-17(27-22(24)33-19)21(31)28(16-6-7-16)9-8-25-20(30)18-14(2)26-23-29(18)10-11-32-23/h3-5,10-12,16H,6-9H2,1-2H3,(H2,24,27)(H,25,30)
InChIKeyOJPPEHNBHLHZLA-UHFFFAOYSA-N
XLogP3.75
TPSA105.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.62
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-cyclopropylamino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[2-[[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-cyclopropylamino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 25190082) is N-[2-[[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-cyclopropylamino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[2-[[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-cyclopropylamino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[2-[[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-cyclopropylamino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1cccc(-c2sc(N)nc2C(=O)N(CCNC(=O)c2c(C)nc3sccn23)C2CC2)c1.
What is the InChIKey of N-[2-[[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-cyclopropylamino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is OJPPEHNBHLHZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2S2/c1-13-4-3-5-15(12-13)19-17(27-22(24)33-19)21(31)28(16-6-7-16)9-8-25-20(30)18-14(2)26-23-29(18)10-11-32-23/h3-5,10-12,16H,6-9H2,1-2H3,(H2,24,27)(H,25,30).
What are the key properties of N-[2-[[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-cyclopropylamino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-[2-[[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-cyclopropylamino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 480.62 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-cyclopropylamino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 25190082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).