propan-2-yl (5R)-5-(2-fluorophenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C23H26FN3O4S — CID 98234345

IUPACpropan-2-yl (5R)-5-(2-fluorophenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCC1=C(C(=O)OC(C)C)[C@H](c2ccccc2F)N2C(CC(=O)N3CCOCC3)=CSC2=N1
InChIInChI=1S/C23H26FN3O4S/c1-14(2)31-22(29)20-15(3)25-23-27(21(20)17-6-4-5-7-18(17)24)16(13-32-23)12-19(28)26-8-10-30-11-9-26/h4-7,13-14,21H,8-12H2,1-3H3/t21-/m0/s1
InChIKeyQGGJQFZDFKVUKA-NRFANRHFSA-N
MW459.54 g/mol
LogP3.60
Rot. Bonds5

About propan-2-yl (5R)-5-(2-fluorophenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

propan-2-yl (5R)-5-(2-fluorophenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 98234345) has the molecular formula C23H26FN3O4S and a molecular weight of 459.54 g/mol. Its IUPAC name is propan-2-yl (5R)-5-(2-fluorophenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (5R)-5-(2-fluorophenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID98234345
Molecular FormulaC23H26FN3O4S
Molecular Weight459.54 g/mol
Exact Mass459.16
IUPAC Namepropan-2-yl (5R)-5-(2-fluorophenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCC1=C(C(=O)OC(C)C)[C@H](c2ccccc2F)N2C(CC(=O)N3CCOCC3)=CSC2=N1
InChIInChI=1S/C23H26FN3O4S/c1-14(2)31-22(29)20-15(3)25-23-27(21(20)17-6-4-5-7-18(17)24)16(13-32-23)12-19(28)26-8-10-30-11-9-26/h4-7,13-14,21H,8-12H2,1-3H3/t21-/m0/s1
InChIKeyQGGJQFZDFKVUKA-NRFANRHFSA-N
XLogP3.60
TPSA71.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

propan-2-yl (5S)-5-(2-fluorophenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98234346
tert-butyl (5R)-5-(2-fluorophenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98234224
propan-2-yl (5S)-5-(2,3-dimethoxyphenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98356161
propan-2-yl (5R)-3-[2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]-2-oxoethyl]-5-(2-fluorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98355540
propan-2-yl (5S)-3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-5-(2-fluorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98356417
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
propan-2-yl (5R)-5-(2-fluorophenyl)-7-methyl-3-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98206085
propan-2-yl (5S)-5-(2,3-dimethoxyphenyl)-7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98373366
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
ethyl 5-(2-fluorophenyl)-7-methyl-3-[2-oxo-2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 46112577
propan-2-yl (5S)-5-(2,4-dimethoxyphenyl)-7-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98175054
ethyl (5S)-5-(2-methylphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)-7-(trifluoromethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98234501

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (5R)-5-(2-fluorophenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of propan-2-yl (5R)-5-(2-fluorophenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 98234345) is propan-2-yl (5R)-5-(2-fluorophenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for propan-2-yl (5R)-5-(2-fluorophenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for propan-2-yl (5R)-5-(2-fluorophenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2F)N2C(CC(=O)N3CCOCC3)=CSC2=N1.
What is the InChIKey of propan-2-yl (5R)-5-(2-fluorophenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is QGGJQFZDFKVUKA-NRFANRHFSA-N. The full InChI is InChI=1S/C23H26FN3O4S/c1-14(2)31-22(29)20-15(3)25-23-27(21(20)17-6-4-5-7-18(17)24)16(13-32-23)12-19(28)26-8-10-30-11-9-26/h4-7,13-14,21H,8-12H2,1-3H3/t21-/m0/s1.
What are the key properties of propan-2-yl (5R)-5-(2-fluorophenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
propan-2-yl (5R)-5-(2-fluorophenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 459.54 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (5R)-5-(2-fluorophenyl)-7-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 98234345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).