methyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]-5-morpholin-4-ylbenzoate

C24H24ClN3O4S — CID 55670780

IUPACmethyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]-5-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(N2CCOCC2)ccc1NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C24H24ClN3O4S/c1-31-24(30)20-14-19(28-7-9-32-10-8-28)5-6-21(20)27-22(29)13-18-15-33-23(26-18)12-16-3-2-4-17(25)11-16/h2-6,11,14-15H,7-10,12-13H2,1H3,(H,27,29)
InChIKeyXMOCPNXNHXZJDM-UHFFFAOYSA-N
MW485.99 g/mol
LogP4.19
Rot. Bonds7

About methyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]-5-morpholin-4-ylbenzoate

methyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]-5-morpholin-4-ylbenzoate (PubChem CID 55670780) has the molecular formula C24H24ClN3O4S and a molecular weight of 485.99 g/mol. Its IUPAC name is methyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]-5-morpholin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]-5-morpholin-4-ylbenzoate
PubChem CID55670780
Molecular FormulaC24H24ClN3O4S
Molecular Weight485.99 g/mol
Exact Mass485.12
IUPAC Namemethyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]-5-morpholin-4-ylbenzoate
SMILESCOC(=O)c1cc(N2CCOCC2)ccc1NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C24H24ClN3O4S/c1-31-24(30)20-14-19(28-7-9-32-10-8-28)5-6-21(20)27-22(29)13-18-15-33-23(26-18)12-16-3-2-4-17(25)11-16/h2-6,11,14-15H,7-10,12-13H2,1H3,(H,27,29)
InChIKeyXMOCPNXNHXZJDM-UHFFFAOYSA-N
XLogP4.19
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.99
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]-5-morpholin-4-ylbenzoate with MolForge

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Related Compounds

2-(2-benzyl-1,3-thiazol-4-yl)-N-[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]acetamide
CID 55798401
N-(4-chloro-2-methylphenyl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 46427859
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 43069309
methyl 2-[[2-(methylamino)acetyl]amino]-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840940
methyl 2-(3-aminopropanoylamino)-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840970
methyl 2-[[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]amino]-5-morpholin-4-ylbenzoate
CID 56523034
N-(5-acetamido-2-fluorophenyl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 43069303
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methyl-4-morpholin-4-ylphenyl)acetamide
CID 39267184
methyl 2-(4-methylpentanoylamino)-5-morpholin-4-ylbenzoate
CID 134033506
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 55796237
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 55796894
3-[2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenoxy]propanamide
CID 55881237

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]-5-morpholin-4-ylbenzoate?
The IUPAC name of methyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]-5-morpholin-4-ylbenzoate (CID 55670780) is methyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]-5-morpholin-4-ylbenzoate.
What is the SMILES notation for methyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]-5-morpholin-4-ylbenzoate?
The canonical SMILES for methyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]-5-morpholin-4-ylbenzoate is COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)Cc1csc(Cc2cccc(Cl)c2)n1.
What is the InChIKey of methyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]-5-morpholin-4-ylbenzoate?
The InChIKey is XMOCPNXNHXZJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O4S/c1-31-24(30)20-14-19(28-7-9-32-10-8-28)5-6-21(20)27-22(29)13-18-15-33-23(26-18)12-16-3-2-4-17(25)11-16/h2-6,11,14-15H,7-10,12-13H2,1H3,(H,27,29).
What are the key properties of methyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]-5-morpholin-4-ylbenzoate?
methyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]-5-morpholin-4-ylbenzoate has a molecular weight of 485.99 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetyl]amino]-5-morpholin-4-ylbenzoate is sourced from PubChem (CID 55670780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).