4-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-methylmorpholine-2-carboxamide

C18H19ClN4O2S — CID 126787896

IUPAC4-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)C1CN(Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CCO1
InChIInChI=1S/C18H19ClN4O2S/c1-20-17(24)15-11-22(6-8-25-15)10-14-16(12-2-4-13(19)5-3-12)21-18-23(14)7-9-26-18/h2-5,7,9,15H,6,8,10-11H2,1H3,(H,20,24)
InChIKeyFCRJYWDSDYFPIN-UHFFFAOYSA-N
MW390.90 g/mol
LogP2.66
Rot. Bonds4

About 4-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-methylmorpholine-2-carboxamide

4-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-methylmorpholine-2-carboxamide (PubChem CID 126787896) has the molecular formula C18H19ClN4O2S and a molecular weight of 390.90 g/mol. Its IUPAC name is 4-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name4-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-methylmorpholine-2-carboxamide
PubChem CID126787896
Molecular FormulaC18H19ClN4O2S
Molecular Weight390.90 g/mol
Exact Mass390.09
IUPAC Name4-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)C1CN(Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CCO1
InChIInChI=1S/C18H19ClN4O2S/c1-20-17(24)15-11-22(6-8-25-15)10-14-16(12-2-4-13(19)5-3-12)21-18-23(14)7-9-26-18/h2-5,7,9,15H,6,8,10-11H2,1H3,(H,20,24)
InChIKeyFCRJYWDSDYFPIN-UHFFFAOYSA-N
XLogP2.66
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.90
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-methylmorpholine-2-carboxamide?
The IUPAC name of 4-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-methylmorpholine-2-carboxamide (CID 126787896) is 4-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-methylmorpholine-2-carboxamide.
What is the SMILES notation for 4-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-methylmorpholine-2-carboxamide?
The canonical SMILES for 4-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-methylmorpholine-2-carboxamide is CNC(=O)C1CN(Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CCO1.
What is the InChIKey of 4-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-methylmorpholine-2-carboxamide?
The InChIKey is FCRJYWDSDYFPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2S/c1-20-17(24)15-11-22(6-8-25-15)10-14-16(12-2-4-13(19)5-3-12)21-18-23(14)7-9-26-18/h2-5,7,9,15H,6,8,10-11H2,1H3,(H,20,24).
What are the key properties of 4-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-methylmorpholine-2-carboxamide?
4-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-methylmorpholine-2-carboxamide has a molecular weight of 390.90 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]-N-methylmorpholine-2-carboxamide is sourced from PubChem (CID 126787896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).