propan-2-yl (5S)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

C26H34N4O3S — CID 98261049

IUPACpropan-2-yl (5S)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCN1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC(C)C)[C@H](c4ccc(C)cc4)N23)CC1
InChIInChI=1S/C26H34N4O3S/c1-6-28-11-13-29(14-12-28)22(31)15-21-16-34-26-27-19(5)23(25(32)33-17(2)3)24(30(21)26)20-9-7-18(4)8-10-20/h7-10,16-17,24H,6,11-15H2,1-5H3/t24-/m0/s1
InChIKeyXHACJDPETAQENB-DEOSSOPVSA-N
MW482.65 g/mol
LogP4.08
Rot. Bonds6

About propan-2-yl (5S)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

propan-2-yl (5S)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (PubChem CID 98261049) has the molecular formula C26H34N4O3S and a molecular weight of 482.65 g/mol. Its IUPAC name is propan-2-yl (5S)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (5S)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
PubChem CID98261049
Molecular FormulaC26H34N4O3S
Molecular Weight482.65 g/mol
Exact Mass482.24
IUPAC Namepropan-2-yl (5S)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
SMILESCCN1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC(C)C)[C@H](c4ccc(C)cc4)N23)CC1
InChIInChI=1S/C26H34N4O3S/c1-6-28-11-13-29(14-12-28)22(31)15-21-16-34-26-27-19(5)23(25(32)33-17(2)3)24(30(21)26)20-9-7-18(4)8-10-20/h7-10,16-17,24H,6,11-15H2,1-5H3/t24-/m0/s1
InChIKeyXHACJDPETAQENB-DEOSSOPVSA-N
XLogP4.08
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

propan-2-yl (5R)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(3-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98260988
methyl 3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 46112439
methyl (5S)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98356033
propan-2-yl 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-7-methyl-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 46112251
ethyl 7-methyl-5-(4-methylphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42829290
propan-2-yl (5R)-5-(3,4-dimethoxyphenyl)-7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98373355
propan-2-yl (5R)-7-methyl-3-[2-(3-methylbutylamino)-2-oxoethyl]-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98205672
propan-2-yl (5S)-3-[2-[(3R)-3-ethoxycarbonylpiperidin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98355504
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
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
prop-2-enyl (5R)-3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(4-propan-2-ylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98270710
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

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (5S)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The IUPAC name of propan-2-yl (5S)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate (CID 98261049) is propan-2-yl (5S)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for propan-2-yl (5S)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for propan-2-yl (5S)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is CCN1CCN(C(=O)CC2=CSC3=NC(C)=C(C(=O)OC(C)C)[C@H](c4ccc(C)cc4)N23)CC1.
What is the InChIKey of propan-2-yl (5S)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
The InChIKey is XHACJDPETAQENB-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H34N4O3S/c1-6-28-11-13-29(14-12-28)22(31)15-21-16-34-26-27-19(5)23(25(32)33-17(2)3)24(30(21)26)20-9-7-18(4)8-10-20/h7-10,16-17,24H,6,11-15H2,1-5H3/t24-/m0/s1.
What are the key properties of propan-2-yl (5S)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate?
propan-2-yl (5S)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate has a molecular weight of 482.65 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (5S)-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-7-methyl-5-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 98261049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).