6-amino-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

C22H22N6O2S2 — CID 73347581

IUPAC6-amino-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
SMILESCc1cccc(-c2sc(C)nc2C(=O)N2CCC2CNC(=O)c2c(N)nc3sccn23)c1
InChIInChI=1S/C22H22N6O2S2/c1-12-4-3-5-14(10-12)18-16(25-13(2)32-18)21(30)27-7-6-15(27)11-24-20(29)17-19(23)26-22-28(17)8-9-31-22/h3-5,8-10,15H,6-7,11,23H2,1-2H3,(H,24,29)
InChIKeyUZUQXKOMVONDDL-UHFFFAOYSA-N
MW466.59 g/mol
LogP3.36
Rot. Bonds5

About 6-amino-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

6-amino-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 (PubChem CID 73347581) has the molecular formula C22H22N6O2S2 and a molecular weight of 466.59 g/mol. Its IUPAC name is 6-amino-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.

Molecular Properties

Compound Name6-amino-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
PubChem CID73347581
Molecular FormulaC22H22N6O2S2
Molecular Weight466.59 g/mol
Exact Mass466.12
IUPAC Name6-amino-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
SMILESCc1cccc(-c2sc(C)nc2C(=O)N2CCC2CNC(=O)c2c(N)nc3sccn23)c1
InChIInChI=1S/C22H22N6O2S2/c1-12-4-3-5-14(10-12)18-16(25-13(2)32-18)21(30)27-7-6-15(27)11-24-20(29)17-19(23)26-22-28(17)8-9-31-22/h3-5,8-10,15H,6-7,11,23H2,1-2H3,(H,24,29)
InChIKeyUZUQXKOMVONDDL-UHFFFAOYSA-N
XLogP3.36
TPSA105.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-amino-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-amino-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?
The IUPAC name of 6-amino-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 73347581) is 6-amino-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.
What is the SMILES notation for 6-amino-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?
The canonical SMILES for 6-amino-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 is Cc1cccc(-c2sc(C)nc2C(=O)N2CCC2CNC(=O)c2c(N)nc3sccn23)c1.
What is the InChIKey of 6-amino-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?
The InChIKey is UZUQXKOMVONDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2S2/c1-12-4-3-5-14(10-12)18-16(25-13(2)32-18)21(30)27-7-6-15(27)11-24-20(29)17-19(23)26-22-28(17)8-9-31-22/h3-5,8-10,15H,6-7,11,23H2,1-2H3,(H,24,29).
What are the key properties of 6-amino-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?
6-amino-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 has a molecular weight of 466.59 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-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 is sourced from PubChem (CID 73347581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).