propan-2-yl 6-methyl-3-[2-(methylamino)-2-oxoethyl]-2-phenyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate

C20H24N2O3S — CID 139819589

IUPACpropan-2-yl 6-methyl-3-[2-(methylamino)-2-oxoethyl]-2-phenyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
SMILESCNC(=O)CC1=C(c2ccccc2)SC2=C(C(=O)OC(C)C)C(C)CN12
InChIInChI=1S/C20H24N2O3S/c1-12(2)25-20(24)17-13(3)11-22-15(10-16(23)21-4)18(26-19(17)22)14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3,(H,21,23)
InChIKeyYRFZBGVZEUDECZ-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.35
Rot. Bonds5

About propan-2-yl 6-methyl-3-[2-(methylamino)-2-oxoethyl]-2-phenyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate

propan-2-yl 6-methyl-3-[2-(methylamino)-2-oxoethyl]-2-phenyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate (PubChem CID 139819589) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is propan-2-yl 6-methyl-3-[2-(methylamino)-2-oxoethyl]-2-phenyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-methyl-3-[2-(methylamino)-2-oxoethyl]-2-phenyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
PubChem CID139819589
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Namepropan-2-yl 6-methyl-3-[2-(methylamino)-2-oxoethyl]-2-phenyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
SMILESCNC(=O)CC1=C(c2ccccc2)SC2=C(C(=O)OC(C)C)C(C)CN12
InChIInChI=1S/C20H24N2O3S/c1-12(2)25-20(24)17-13(3)11-22-15(10-16(23)21-4)18(26-19(17)22)14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3,(H,21,23)
InChIKeyYRFZBGVZEUDECZ-UHFFFAOYSA-N
XLogP3.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-methyl-3-[2-(methylamino)-2-oxoethyl]-2-phenyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
The IUPAC name of propan-2-yl 6-methyl-3-[2-(methylamino)-2-oxoethyl]-2-phenyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate (CID 139819589) is propan-2-yl 6-methyl-3-[2-(methylamino)-2-oxoethyl]-2-phenyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate.
What is the SMILES notation for propan-2-yl 6-methyl-3-[2-(methylamino)-2-oxoethyl]-2-phenyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
The canonical SMILES for propan-2-yl 6-methyl-3-[2-(methylamino)-2-oxoethyl]-2-phenyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate is CNC(=O)CC1=C(c2ccccc2)SC2=C(C(=O)OC(C)C)C(C)CN12.
What is the InChIKey of propan-2-yl 6-methyl-3-[2-(methylamino)-2-oxoethyl]-2-phenyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
The InChIKey is YRFZBGVZEUDECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-12(2)25-20(24)17-13(3)11-22-15(10-16(23)21-4)18(26-19(17)22)14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3,(H,21,23).
What are the key properties of propan-2-yl 6-methyl-3-[2-(methylamino)-2-oxoethyl]-2-phenyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
propan-2-yl 6-methyl-3-[2-(methylamino)-2-oxoethyl]-2-phenyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate has a molecular weight of 372.49 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-methyl-3-[2-(methylamino)-2-oxoethyl]-2-phenyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate is sourced from PubChem (CID 139819589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).