methyl (5S)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-7-ethyl-5-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C23H27N3O4S — CID 98155088

IUPACmethyl (5S)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-7-ethyl-5-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCC1=C(C(=O)OC)[C@H](c2ccc(OC)cc2)N2C(CC(=O)NCC3CC3)=CSC2=N1
InChIInChI=1S/C23H27N3O4S/c1-4-18-20(22(28)30-3)21(15-7-9-17(29-2)10-8-15)26-16(13-31-23(26)25-18)11-19(27)24-12-14-5-6-14/h7-10,13-14,21H,4-6,11-12H2,1-3H3,(H,24,27)/t21-/m0/s1
InChIKeyABDDYAVXEVEATF-NRFANRHFSA-N
MW441.55 g/mol
LogP3.75
Rot. Bonds8

About methyl (5S)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-7-ethyl-5-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

methyl (5S)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-7-ethyl-5-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 98155088) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is methyl (5S)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-7-ethyl-5-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl (5S)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-7-ethyl-5-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID98155088
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC Namemethyl (5S)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-7-ethyl-5-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCC1=C(C(=O)OC)[C@H](c2ccc(OC)cc2)N2C(CC(=O)NCC3CC3)=CSC2=N1
InChIInChI=1S/C23H27N3O4S/c1-4-18-20(22(28)30-3)21(15-7-9-17(29-2)10-8-15)26-16(13-31-23(26)25-18)11-19(27)24-12-14-5-6-14/h7-10,13-14,21H,4-6,11-12H2,1-3H3,(H,24,27)/t21-/m0/s1
InChIKeyABDDYAVXEVEATF-NRFANRHFSA-N
XLogP3.75
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl (5S)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-7-ethyl-5-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate 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

methyl (5R)-7-ethyl-5-(4-methoxyphenyl)-3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98343541
tert-butyl 3-[2-(cyclopropylmethylamino)-2-oxoethyl]-5-(4-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42830055
methyl (5R)-3-[2-(cyclopropylamino)-2-oxoethyl]-5-(2,5-dimethoxyphenyl)-7-ethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98388544
methyl (5R)-7-ethyl-5-(4-methylphenyl)-3-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98372933
methyl 3-[2-(cyclohexylamino)-2-oxoethyl]-7-ethyl-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 46112020
methyl (5R)-3-[2-(benzylamino)-2-oxoethyl]-7-ethyl-5-(3-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98154525
methyl 7-ethyl-3-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 46112053
methyl 7-ethyl-3-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 46112058
methyl 7-ethyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42828839
methyl (5R)-7-ethyl-5-(2-methoxyphenyl)-3-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98388631
ethyl (5R)-3-[2-(cyclopropylamino)-2-oxoethyl]-5-(4-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98356756
methyl 5-(2,4-dimethylphenyl)-7-ethyl-3-[2-(4-methoxyanilino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 46112203

Frequently Asked Questions

What is the IUPAC name of methyl (5S)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-7-ethyl-5-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of methyl (5S)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-7-ethyl-5-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 98155088) is methyl (5S)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-7-ethyl-5-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl (5S)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-7-ethyl-5-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for methyl (5S)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-7-ethyl-5-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCC1=C(C(=O)OC)[C@H](c2ccc(OC)cc2)N2C(CC(=O)NCC3CC3)=CSC2=N1.
What is the InChIKey of methyl (5S)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-7-ethyl-5-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is ABDDYAVXEVEATF-NRFANRHFSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-4-18-20(22(28)30-3)21(15-7-9-17(29-2)10-8-15)26-16(13-31-23(26)25-18)11-19(27)24-12-14-5-6-14/h7-10,13-14,21H,4-6,11-12H2,1-3H3,(H,24,27)/t21-/m0/s1.
What are the key properties of methyl (5S)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-7-ethyl-5-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
methyl (5S)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-7-ethyl-5-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 441.55 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-7-ethyl-5-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 98155088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).