propan-2-yl 3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate

C16H20N2O4S — CID 139819534

IUPACpropan-2-yl 3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate
SMILESCC(C)OC(=O)c1ccn2c(CC(=O)N3CCOCC3)csc12
InChIInChI=1S/C16H20N2O4S/c1-11(2)22-16(20)13-3-4-18-12(10-23-15(13)18)9-14(19)17-5-7-21-8-6-17/h3-4,10-11H,5-9H2,1-2H3
InChIKeyZMUVUSCJODIUHJ-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.97
Rot. Bonds4

About propan-2-yl 3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate

propan-2-yl 3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate (PubChem CID 139819534) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is propan-2-yl 3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate
PubChem CID139819534
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Namepropan-2-yl 3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate
SMILESCC(C)OC(=O)c1ccn2c(CC(=O)N3CCOCC3)csc12
InChIInChI=1S/C16H20N2O4S/c1-11(2)22-16(20)13-3-4-18-12(10-23-15(13)18)9-14(19)17-5-7-21-8-6-17/h3-4,10-11H,5-9H2,1-2H3
InChIKeyZMUVUSCJODIUHJ-UHFFFAOYSA-N
XLogP1.97
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl 3-(2-ethoxy-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate
CID 139819560
1-morpholin-4-yl-2-(4-propan-2-ylsulfonylphenyl)ethanone
CID 16838369
2-(6-methyl-7-propan-2-yloxycarbonylpyrrolo[2,1-b][1,3]thiazol-3-yl)acetic acid
CID 139819538
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone
CID 82547942
propan-2-yl 2-[3-(2-morpholin-4-yl-2-oxoethyl)-1H-indol-2-yl]acetate
CID 171483490
propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-(1H-pyrazol-4-yl)indolizine-7-carboxylate
CID 139311116
propan-2-yl 6-methyl-5-(1-morpholin-4-ylethyl)-1-phenylindolizine-7-carboxylate
CID 139311524
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
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
1-morpholin-4-yl-2-[5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]thiophen-2-yl]ethanone
CID 8750725
2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazole-4-carboxylic acid
CID 82154968
N-(2-morpholin-4-yl-2-oxoethyl)-N-(2-propan-2-yloxyphenyl)methanesulfonamide
CID 113155333

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
The IUPAC name of propan-2-yl 3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate (CID 139819534) is propan-2-yl 3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate.
What is the SMILES notation for propan-2-yl 3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
The canonical SMILES for propan-2-yl 3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate is CC(C)OC(=O)c1ccn2c(CC(=O)N3CCOCC3)csc12.
What is the InChIKey of propan-2-yl 3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
The InChIKey is ZMUVUSCJODIUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-11(2)22-16(20)13-3-4-18-12(10-23-15(13)18)9-14(19)17-5-7-21-8-6-17/h3-4,10-11H,5-9H2,1-2H3.
What are the key properties of propan-2-yl 3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
propan-2-yl 3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate has a molecular weight of 336.41 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(2-morpholin-4-yl-2-oxoethyl)pyrrolo[2,1-b][1,3]thiazole-7-carboxylate is sourced from PubChem (CID 139819534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).