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

C13H18N2O3S — CID 10356423

IUPACpropan-2-yl 3-[2-(methylamino)-2-oxoethyl]-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
SMILESCNC(=O)CC1=CSC2=C(C(=O)OC(C)C)CCN12
InChIInChI=1S/C13H18N2O3S/c1-8(2)18-13(17)10-4-5-15-9(6-11(16)14-3)7-19-12(10)15/h7-8H,4-6H2,1-3H3,(H,14,16)
InChIKeyPGRGNTHPZVNMJI-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.58
Rot. Bonds4

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

propan-2-yl 3-[2-(methylamino)-2-oxoethyl]-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate (PubChem CID 10356423) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is propan-2-yl 3-[2-(methylamino)-2-oxoethyl]-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-[2-(methylamino)-2-oxoethyl]-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
PubChem CID10356423
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Namepropan-2-yl 3-[2-(methylamino)-2-oxoethyl]-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
SMILESCNC(=O)CC1=CSC2=C(C(=O)OC(C)C)CCN12
InChIInChI=1S/C13H18N2O3S/c1-8(2)18-13(17)10-4-5-15-9(6-11(16)14-3)7-19-12(10)15/h7-8H,4-6H2,1-3H3,(H,14,16)
InChIKeyPGRGNTHPZVNMJI-UHFFFAOYSA-N
XLogP1.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
CID 139819570
propan-2-yl 3-[2-(2-hydroxyethylamino)-2-oxoethylidene]-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
CID 139819442
butan-2-yl 3-[2-(methylamino)-2-oxoethylidene]-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
CID 67756231
propan-2-yl 3-(2-oxo-2-thiomorpholin-4-ylethylidene)-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
CID 67755314
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
propan-2-yl 3-[2-oxo-2-(pyridin-2-ylmethylamino)ethylidene]-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
CID 139819459
propan-2-yl 3-(1-amino-1-oxopropan-2-yl)-2,3,5,6-tetrahydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
CID 57314736
ethyl 3-(2-anilino-2-oxoethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,4]thiazine-8-carboxylate
CID 139915502
propan-2-yl (5S)-5-(3,5-dimethoxyphenyl)-7-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98275396
CID 50923065
CID 50923065
propan-2-yl (5S)-3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-5-(4-chlorophenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98205979
[2-(methylamino)-2-oxoethyl]-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]azanium
CID 8772437

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[2-(methylamino)-2-oxoethyl]-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
The IUPAC name of propan-2-yl 3-[2-(methylamino)-2-oxoethyl]-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate (CID 10356423) is propan-2-yl 3-[2-(methylamino)-2-oxoethyl]-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate.
What is the SMILES notation for propan-2-yl 3-[2-(methylamino)-2-oxoethyl]-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
The canonical SMILES for propan-2-yl 3-[2-(methylamino)-2-oxoethyl]-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate is CNC(=O)CC1=CSC2=C(C(=O)OC(C)C)CCN12.
What is the InChIKey of propan-2-yl 3-[2-(methylamino)-2-oxoethyl]-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
The InChIKey is PGRGNTHPZVNMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-8(2)18-13(17)10-4-5-15-9(6-11(16)14-3)7-19-12(10)15/h7-8H,4-6H2,1-3H3,(H,14,16).
What are the key properties of propan-2-yl 3-[2-(methylamino)-2-oxoethyl]-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
propan-2-yl 3-[2-(methylamino)-2-oxoethyl]-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate has a molecular weight of 282.37 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[2-(methylamino)-2-oxoethyl]-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate is sourced from PubChem (CID 10356423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).