5-(2-chlorophenyl)-3-[2-(2-methoxyethylamino)-2-oxoethyl]-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

About 5-(2-chlorophenyl)-3-[2-(2-methoxyethylamino)-2-oxoethyl]-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

5-(2-chlorophenyl)-3-[2-(2-methoxyethylamino)-2-oxoethyl]-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 42827785) has the molecular formula C25H25ClN4O3S and a molecular weight of 497.02 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-[2-(2-methoxyethylamino)-2-oxoethyl]-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name	5-(2-chlorophenyl)-3-[2-(2-methoxyethylamino)-2-oxoethyl]-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID	42827785
Molecular Formula	C25H25ClN4O3S
Molecular Weight	497.02 g/mol
Exact Mass	496.13
IUPAC Name	5-(2-chlorophenyl)-3-[2-(2-methoxyethylamino)-2-oxoethyl]-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILES	COCCNC(=O)CC1=CSC2=NC(C)=C(C(=O)Nc3ccccc3)C(c3ccccc3Cl)N12
InChI	InChI=1S/C25H25ClN4O3S/c1-16-22(24(32)29-17-8-4-3-5-9-17)23(19-10-6-7-11-20(19)26)30-18(15-34-25(30)28-16)14-21(31)27-12-13-33-2/h3-11,15,23H,12-14H2,1-2H3,(H,27,31)(H,29,32)
InChIKey	XJBAABHIGINNTA-UHFFFAOYSA-N
XLogP	4.71
TPSA	83.03 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.02
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-[2-(2-methoxyethylamino)-2-oxoethyl]-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The IUPAC name of 5-(2-chlorophenyl)-3-[2-(2-methoxyethylamino)-2-oxoethyl]-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 42827785) is 5-(2-chlorophenyl)-3-[2-(2-methoxyethylamino)-2-oxoethyl]-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for 5-(2-chlorophenyl)-3-[2-(2-methoxyethylamino)-2-oxoethyl]-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for 5-(2-chlorophenyl)-3-[2-(2-methoxyethylamino)-2-oxoethyl]-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is COCCNC(=O)CC1=CSC2=NC(C)=C(C(=O)Nc3ccccc3)C(c3ccccc3Cl)N12.

What is the InChIKey of 5-(2-chlorophenyl)-3-[2-(2-methoxyethylamino)-2-oxoethyl]-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

The InChIKey is XJBAABHIGINNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O3S/c1-16-22(24(32)29-17-8-4-3-5-9-17)23(19-10-6-7-11-20(19)26)30-18(15-34-25(30)28-16)14-21(31)27-12-13-33-2/h3-11,15,23H,12-14H2,1-2H3,(H,27,31)(H,29,32).

What are the key properties of 5-(2-chlorophenyl)-3-[2-(2-methoxyethylamino)-2-oxoethyl]-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?

5-(2-chlorophenyl)-3-[2-(2-methoxyethylamino)-2-oxoethyl]-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 497.02 g/mol, XLogP of 4.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-chlorophenyl)-3-[2-(2-methoxyethylamino)-2-oxoethyl]-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 42827785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).