propan-2-yl 5-ethyl-3-[2-(methylamino)-2-oxoethylidene]pyrrolo[2,1-b][1,3]thiazole-7-carboxylate

C15H20N2O3S — CID 139819394

IUPACpropan-2-yl 5-ethyl-3-[2-(methylamino)-2-oxoethylidene]pyrrolo[2,1-b][1,3]thiazole-7-carboxylate
SMILESCCc1cc(C(=O)OC(C)C)c2n1C(=CC(=O)NC)CS2
InChIInChI=1S/C15H20N2O3S/c1-5-10-6-12(15(19)20-9(2)3)14-17(10)11(8-21-14)7-13(18)16-4/h6-7,9H,5,8H2,1-4H3,(H,16,18)
InChIKeyCAVQABKZJNHJTE-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.31
Rot. Bonds4

About propan-2-yl 5-ethyl-3-[2-(methylamino)-2-oxoethylidene]pyrrolo[2,1-b][1,3]thiazole-7-carboxylate

propan-2-yl 5-ethyl-3-[2-(methylamino)-2-oxoethylidene]pyrrolo[2,1-b][1,3]thiazole-7-carboxylate (PubChem CID 139819394) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is propan-2-yl 5-ethyl-3-[2-(methylamino)-2-oxoethylidene]pyrrolo[2,1-b][1,3]thiazole-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-ethyl-3-[2-(methylamino)-2-oxoethylidene]pyrrolo[2,1-b][1,3]thiazole-7-carboxylate
PubChem CID139819394
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Namepropan-2-yl 5-ethyl-3-[2-(methylamino)-2-oxoethylidene]pyrrolo[2,1-b][1,3]thiazole-7-carboxylate
SMILESCCc1cc(C(=O)OC(C)C)c2n1C(=CC(=O)NC)CS2
InChIInChI=1S/C15H20N2O3S/c1-5-10-6-12(15(19)20-9(2)3)14-17(10)11(8-21-14)7-13(18)16-4/h6-7,9H,5,8H2,1-4H3,(H,16,18)
InChIKeyCAVQABKZJNHJTE-UHFFFAOYSA-N
XLogP2.31
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze propan-2-yl 5-ethyl-3-[2-(methylamino)-2-oxoethylidene]pyrrolo[2,1-b][1,3]thiazole-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl 3-(2-ethoxy-2-oxoethylidene)-5-formylpyrrolo[2,1-b][1,3]thiazole-7-carboxylate
CID 139819427
propan-2-yl (3Z)-3-[2-(ethylamino)-2-oxoethylidene]-6-methylpyrrolo[2,1-b][1,3]thiazole-7-carboxylate
CID 22842912
propan-2-yl 5-ethyl-3-[2-(methylamino)-2-oxoethylidene]-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
CID 139819482
propan-2-yl 6-methyl-3-[2-(2-methylpropylamino)-2-oxoethylidene]pyrrolo[2,1-b][1,3]thiazole-7-carboxylate
CID 139819488
propan-2-yl 3-(2-ethoxy-2-oxoethylidene)-6-methylpyrrolo[2,1-b][1,3]thiazole-7-carboxylate
CID 139819487
butan-2-yl 3-[2-(methylamino)-2-oxoethylidene]-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
CID 67756231
propan-2-yl 5-ethyl-1-methylpyrazole-3-carboxylate
CID 176935397
propan-2-yl 3-[2-(2-hydroxyethylamino)-2-oxoethylidene]-6-methyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
CID 139819423
propan-2-yl 4-bromo-2-ethylbenzoate
CID 22568988
propan-2-yl 3-[2-(2-hydroxyethylamino)-2-oxoethylidene]-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
CID 139819442
propan-2-yl 3-[2-(dimethylamino)-2-oxoethylidene]-6-methyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
CID 57271419
propan-2-yl 4-amino-5-ethylthiophene-3-carboxylate
CID 13286152

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-ethyl-3-[2-(methylamino)-2-oxoethylidene]pyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
The IUPAC name of propan-2-yl 5-ethyl-3-[2-(methylamino)-2-oxoethylidene]pyrrolo[2,1-b][1,3]thiazole-7-carboxylate (CID 139819394) is propan-2-yl 5-ethyl-3-[2-(methylamino)-2-oxoethylidene]pyrrolo[2,1-b][1,3]thiazole-7-carboxylate.
What is the SMILES notation for propan-2-yl 5-ethyl-3-[2-(methylamino)-2-oxoethylidene]pyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
The canonical SMILES for propan-2-yl 5-ethyl-3-[2-(methylamino)-2-oxoethylidene]pyrrolo[2,1-b][1,3]thiazole-7-carboxylate is CCc1cc(C(=O)OC(C)C)c2n1C(=CC(=O)NC)CS2.
What is the InChIKey of propan-2-yl 5-ethyl-3-[2-(methylamino)-2-oxoethylidene]pyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
The InChIKey is CAVQABKZJNHJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-5-10-6-12(15(19)20-9(2)3)14-17(10)11(8-21-14)7-13(18)16-4/h6-7,9H,5,8H2,1-4H3,(H,16,18).
What are the key properties of propan-2-yl 5-ethyl-3-[2-(methylamino)-2-oxoethylidene]pyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
propan-2-yl 5-ethyl-3-[2-(methylamino)-2-oxoethylidene]pyrrolo[2,1-b][1,3]thiazole-7-carboxylate has a molecular weight of 308.40 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-ethyl-3-[2-(methylamino)-2-oxoethylidene]pyrrolo[2,1-b][1,3]thiazole-7-carboxylate is sourced from PubChem (CID 139819394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).