(5R)-5-(4-chlorophenyl)-N,N,7-trimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C22H25ClN4O3S — CID 98422884

IUPAC(5R)-5-(4-chlorophenyl)-N,N,7-trimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)N(C)C)[C@@H](c2ccc(Cl)cc2)N2C(CC(=O)N3CCOCC3)=CSC2=N1
InChIInChI=1S/C22H25ClN4O3S/c1-14-19(21(29)25(2)3)20(15-4-6-16(23)7-5-15)27-17(13-31-22(27)24-14)12-18(28)26-8-10-30-11-9-26/h4-7,13,20H,8-12H2,1-3H3/t20-/m1/s1
InChIKeyNMHXZASXEPWQIH-HXUWFJFHSA-N
MW460.99 g/mol
LogP3.25
Rot. Bonds4

About (5R)-5-(4-chlorophenyl)-N,N,7-trimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

(5R)-5-(4-chlorophenyl)-N,N,7-trimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 98422884) has the molecular formula C22H25ClN4O3S and a molecular weight of 460.99 g/mol. Its IUPAC name is (5R)-5-(4-chlorophenyl)-N,N,7-trimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(5R)-5-(4-chlorophenyl)-N,N,7-trimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID98422884
Molecular FormulaC22H25ClN4O3S
Molecular Weight460.99 g/mol
Exact Mass460.13
IUPAC Name(5R)-5-(4-chlorophenyl)-N,N,7-trimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)N(C)C)[C@@H](c2ccc(Cl)cc2)N2C(CC(=O)N3CCOCC3)=CSC2=N1
InChIInChI=1S/C22H25ClN4O3S/c1-14-19(21(29)25(2)3)20(15-4-6-16(23)7-5-15)27-17(13-31-22(27)24-14)12-18(28)26-8-10-30-11-9-26/h4-7,13,20H,8-12H2,1-3H3/t20-/m1/s1
InChIKeyNMHXZASXEPWQIH-HXUWFJFHSA-N
XLogP3.25
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.99
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5R)-5-(4-chlorophenyl)-N,N,7-trimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxyethyl (5R)-5-(4-chlorophenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98175043
N,N-diethyl-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 42827770
benzyl (5R)-5-(4-chlorophenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98234105
ethyl (5R)-5-(4-chlorophenyl)-3-(2-morpholin-4-yl-2-oxoethyl)-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98233995
benzyl 7-methyl-5-(4-methylphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42829994
methyl 5-(3,5-dimethoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42829083
(5R)-3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-(4-chlorophenyl)-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 98210148
tert-butyl (5R)-5-(3,4-dimethoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98356133
(5S)-5-(3-chlorophenyl)-N-(4-methoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 98356111
5-(3-chlorophenyl)-N-(4-methoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46000047
N,N-diethyl-7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 42827773
ethyl (5S)-5-(2,4-dimethylphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98234134

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-chlorophenyl)-N,N,7-trimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of (5R)-5-(4-chlorophenyl)-N,N,7-trimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 98422884) is (5R)-5-(4-chlorophenyl)-N,N,7-trimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (5R)-5-(4-chlorophenyl)-N,N,7-trimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for (5R)-5-(4-chlorophenyl)-N,N,7-trimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CC1=C(C(=O)N(C)C)[C@@H](c2ccc(Cl)cc2)N2C(CC(=O)N3CCOCC3)=CSC2=N1.
What is the InChIKey of (5R)-5-(4-chlorophenyl)-N,N,7-trimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is NMHXZASXEPWQIH-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H25ClN4O3S/c1-14-19(21(29)25(2)3)20(15-4-6-16(23)7-5-15)27-17(13-31-22(27)24-14)12-18(28)26-8-10-30-11-9-26/h4-7,13,20H,8-12H2,1-3H3/t20-/m1/s1.
What are the key properties of (5R)-5-(4-chlorophenyl)-N,N,7-trimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
(5R)-5-(4-chlorophenyl)-N,N,7-trimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 460.99 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-chlorophenyl)-N,N,7-trimethyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 98422884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).