methyl 7-ethyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C24H25N3O4S — CID 42828839

IUPACmethyl 7-ethyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCC1=C(C(=O)OC)C(c2ccc(C)cc2)N2C(CC(=O)NCc3ccco3)=CSC2=N1
InChIInChI=1S/C24H25N3O4S/c1-4-19-21(23(29)30-3)22(16-9-7-15(2)8-10-16)27-17(14-32-24(27)26-19)12-20(28)25-13-18-6-5-11-31-18/h5-11,14,22H,4,12-13H2,1-3H3,(H,25,28)
InChIKeyUDAMZAVUSMTDST-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.43
Rot. Bonds7

About methyl 7-ethyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

methyl 7-ethyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 42828839) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is methyl 7-ethyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-ethyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID42828839
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Namemethyl 7-ethyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCC1=C(C(=O)OC)C(c2ccc(C)cc2)N2C(CC(=O)NCc3ccco3)=CSC2=N1
InChIInChI=1S/C24H25N3O4S/c1-4-19-21(23(29)30-3)22(16-9-7-15(2)8-10-16)27-17(14-32-24(27)26-19)12-20(28)25-13-18-6-5-11-31-18/h5-11,14,22H,4,12-13H2,1-3H3,(H,25,28)
InChIKeyUDAMZAVUSMTDST-UHFFFAOYSA-N
XLogP4.43
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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 7-ethyl-3-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 46112053
methyl (5R)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98355174
ethyl 5-(3,4-dimethoxyphenyl)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42830215
methyl 5-(2,4-dimethylphenyl)-7-ethyl-3-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 46112221
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
ethyl (5S)-5-(4-chlorophenyl)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98385298
methyl (5S)-3-[2-(cyclopropylmethylamino)-2-oxoethyl]-7-ethyl-5-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98155088
ethyl (5R)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98358573
methyl (5S)-5-(2,4-dimethoxyphenyl)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98358562
ethyl (5R)-5-(3-fluorophenyl)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98358593
propan-2-yl (5S)-5-(2,5-dimethylphenyl)-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98261014

Frequently Asked Questions

What is the IUPAC name of methyl 7-ethyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of 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) is methyl 7-ethyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 7-ethyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 7-ethyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCC1=C(C(=O)OC)C(c2ccc(C)cc2)N2C(CC(=O)NCc3ccco3)=CSC2=N1.
What is the InChIKey of methyl 7-ethyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is UDAMZAVUSMTDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-4-19-21(23(29)30-3)22(16-9-7-15(2)8-10-16)27-17(14-32-24(27)26-19)12-20(28)25-13-18-6-5-11-31-18/h5-11,14,22H,4,12-13H2,1-3H3,(H,25,28).
What are the key properties of methyl 7-ethyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
methyl 7-ethyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 451.55 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-ethyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 42828839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).