2-[3-[(4-chlorophenyl)methyl]indolizin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide

C21H16ClN3O2S — CID 10223254

IUPAC2-[3-[(4-chlorophenyl)methyl]indolizin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)c2cc(Cc3ccc(Cl)cc3)n3ccccc23)sn1
InChIInChI=1S/C21H16ClN3O2S/c1-13-10-19(28-24-13)23-21(27)20(26)17-12-16(25-9-3-2-4-18(17)25)11-14-5-7-15(22)8-6-14/h2-10,12H,11H2,1H3,(H,23,27)
InChIKeyGOYZOPSTOGEJNK-UHFFFAOYSA-N
MW409.90 g/mol
LogP4.77
Rot. Bonds5

About 2-[3-[(4-chlorophenyl)methyl]indolizin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide

2-[3-[(4-chlorophenyl)methyl]indolizin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide (PubChem CID 10223254) has the molecular formula C21H16ClN3O2S and a molecular weight of 409.90 g/mol. Its IUPAC name is 2-[3-[(4-chlorophenyl)methyl]indolizin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[3-[(4-chlorophenyl)methyl]indolizin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide
PubChem CID10223254
Molecular FormulaC21H16ClN3O2S
Molecular Weight409.90 g/mol
Exact Mass409.07
IUPAC Name2-[3-[(4-chlorophenyl)methyl]indolizin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)c2cc(Cc3ccc(Cl)cc3)n3ccccc23)sn1
InChIInChI=1S/C21H16ClN3O2S/c1-13-10-19(28-24-13)23-21(27)20(26)17-12-16(25-9-3-2-4-18(17)25)11-14-5-7-15(22)8-6-14/h2-10,12H,11H2,1H3,(H,23,27)
InChIKeyGOYZOPSTOGEJNK-UHFFFAOYSA-N
XLogP4.77
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-chlorophenyl)methyl]indolizin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide?
The IUPAC name of 2-[3-[(4-chlorophenyl)methyl]indolizin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide (CID 10223254) is 2-[3-[(4-chlorophenyl)methyl]indolizin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide.
What is the SMILES notation for 2-[3-[(4-chlorophenyl)methyl]indolizin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide?
The canonical SMILES for 2-[3-[(4-chlorophenyl)methyl]indolizin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide is Cc1cc(NC(=O)C(=O)c2cc(Cc3ccc(Cl)cc3)n3ccccc23)sn1.
What is the InChIKey of 2-[3-[(4-chlorophenyl)methyl]indolizin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide?
The InChIKey is GOYZOPSTOGEJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2S/c1-13-10-19(28-24-13)23-21(27)20(26)17-12-16(25-9-3-2-4-18(17)25)11-14-5-7-15(22)8-6-14/h2-10,12H,11H2,1H3,(H,23,27).
What are the key properties of 2-[3-[(4-chlorophenyl)methyl]indolizin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide?
2-[3-[(4-chlorophenyl)methyl]indolizin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide has a molecular weight of 409.90 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-chlorophenyl)methyl]indolizin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide is sourced from PubChem (CID 10223254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).