methyl 5-(2-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C23H26ClN3O4S — CID 42882550

IUPACmethyl 5-(2-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC(C)OC(C)C3)N2C1c1ccccc1Cl
InChIInChI=1S/C23H26ClN3O4S/c1-13-10-26(11-14(2)31-13)19(28)9-16-12-32-23-25-15(3)20(22(29)30-4)21(27(16)23)17-7-5-6-8-18(17)24/h5-8,12-14,21H,9-11H2,1-4H3
InChIKeyNFJJJDYHBBAXGY-UHFFFAOYSA-N
MW476.00 g/mol
LogP4.11
Rot. Bonds4

About methyl 5-(2-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

methyl 5-(2-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 42882550) has the molecular formula C23H26ClN3O4S and a molecular weight of 476.00 g/mol. Its IUPAC name is methyl 5-(2-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID42882550
Molecular FormulaC23H26ClN3O4S
Molecular Weight476.00 g/mol
Exact Mass475.13
IUPAC Namemethyl 5-(2-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC(C)OC(C)C3)N2C1c1ccccc1Cl
InChIInChI=1S/C23H26ClN3O4S/c1-13-10-26(11-14(2)31-13)19(28)9-16-12-32-23-25-15(3)20(22(29)30-4)21(27(16)23)17-7-5-6-8-18(17)24/h5-8,12-14,21H,9-11H2,1-4H3
InChIKeyNFJJJDYHBBAXGY-UHFFFAOYSA-N
XLogP4.11
TPSA71.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.00
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 5-(2-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate with MolForge

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Related Compounds

methyl (5S)-3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-5-(2-chlorophenyl)-7-ethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98210200
methyl 5-(2-chlorophenyl)-7-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42827889
prop-2-enyl (5S)-5-(2-chlorophenyl)-7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98429673
methyl (5S)-3-[2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]-2-oxoethyl]-7-methyl-5-(2-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98426644
2-methoxyethyl (5S)-5-(2-chlorophenyl)-3-[2-(ethylamino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98357043
ethyl 5-(2-chlorophenyl)-3-[2-(diethylamino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42827798
methyl 5-(4-chlorophenyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 46112363
ethyl 1-[2-[5-(2-chlorophenyl)-7-methyl-6-(phenylcarbamoyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]acetyl]piperidine-3-carboxylate
CID 42827793
5-(2-chlorophenyl)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-N,N-diethyl-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 42827827
methyl (5S)-3-[2-[(3S)-3-carbamoylpiperidin-1-yl]-2-oxoethyl]-5-(3-chlorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98355800
2-methoxyethyl 5-(2-fluorophenyl)-7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42828773
ethyl (5R)-3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-5-(2-chlorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98356468

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of methyl 5-(2-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 42882550) is methyl 5-(2-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 5-(2-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 5-(2-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC(C)OC(C)C3)N2C1c1ccccc1Cl.
What is the InChIKey of methyl 5-(2-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is NFJJJDYHBBAXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O4S/c1-13-10-26(11-14(2)31-13)19(28)9-16-12-32-23-25-15(3)20(22(29)30-4)21(27(16)23)17-7-5-6-8-18(17)24/h5-8,12-14,21H,9-11H2,1-4H3.
What are the key properties of methyl 5-(2-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
methyl 5-(2-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 476.00 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 42882550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).