propan-2-yl (3Z)-3-[2-(ethylamino)-2-oxoethylidene]-6-methylpyrrolo[2,1-b][1,3]thiazole-7-carboxylate

C15H20N2O3S — CID 22842912

IUPACpropan-2-yl (3Z)-3-[2-(ethylamino)-2-oxoethylidene]-6-methylpyrrolo[2,1-b][1,3]thiazole-7-carboxylate
SMILESCCNC(=O)/C=C1/CSc2c(C(=O)OC(C)C)c(C)cn21
InChIInChI=1S/C15H20N2O3S/c1-5-16-12(18)6-11-8-21-14-13(10(4)7-17(11)14)15(19)20-9(2)3/h6-7,9H,5,8H2,1-4H3,(H,16,18)/b11-6-
InChIKeyMPRFPBZQDMJWMT-WDZFZDKYSA-N
MW308.40 g/mol
LogP2.44
Rot. Bonds4

About propan-2-yl (3Z)-3-[2-(ethylamino)-2-oxoethylidene]-6-methylpyrrolo[2,1-b][1,3]thiazole-7-carboxylate

propan-2-yl (3Z)-3-[2-(ethylamino)-2-oxoethylidene]-6-methylpyrrolo[2,1-b][1,3]thiazole-7-carboxylate (PubChem CID 22842912) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is propan-2-yl (3Z)-3-[2-(ethylamino)-2-oxoethylidene]-6-methylpyrrolo[2,1-b][1,3]thiazole-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (3Z)-3-[2-(ethylamino)-2-oxoethylidene]-6-methylpyrrolo[2,1-b][1,3]thiazole-7-carboxylate
PubChem CID22842912
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Namepropan-2-yl (3Z)-3-[2-(ethylamino)-2-oxoethylidene]-6-methylpyrrolo[2,1-b][1,3]thiazole-7-carboxylate
SMILESCCNC(=O)/C=C1/CSc2c(C(=O)OC(C)C)c(C)cn21
InChIInChI=1S/C15H20N2O3S/c1-5-16-12(18)6-11-8-21-14-13(10(4)7-17(11)14)15(19)20-9(2)3/h6-7,9H,5,8H2,1-4H3,(H,16,18)/b11-6-
InChIKeyMPRFPBZQDMJWMT-WDZFZDKYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
propan-2-yl 5-ethyl-3-[2-(methylamino)-2-oxoethylidene]pyrrolo[2,1-b][1,3]thiazole-7-carboxylate
CID 139819394
propan-2-yl 3-(2-ethoxy-2-oxoethylidene)-5-formylpyrrolo[2,1-b][1,3]thiazole-7-carboxylate
CID 139819427
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 3-[2-(2-hydroxyethylamino)-2-oxoethylidene]-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
CID 139819442
propan-2-yl 5-ethyl-3-[2-(methylamino)-2-oxoethylidene]-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
CID 139819482
2-(6-methyl-7-propan-2-yloxycarbonylpyrrolo[2,1-b][1,3]thiazol-3-yl)acetic acid
CID 139819538
propan-2-yl 3-[2-(dimethylamino)-2-oxoethylidene]-6-methyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
CID 57271419
dipropan-2-yl 2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1,9-dicarboxylate
CID 70533969
2-(6-methyl-7-propan-2-yloxycarbonyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazol-3-ylidene)acetic acid
CID 67755548
butan-2-yl 3-[2-(methylamino)-2-oxoethylidene]-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
CID 67756231

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (3Z)-3-[2-(ethylamino)-2-oxoethylidene]-6-methylpyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
The IUPAC name of propan-2-yl (3Z)-3-[2-(ethylamino)-2-oxoethylidene]-6-methylpyrrolo[2,1-b][1,3]thiazole-7-carboxylate (CID 22842912) is propan-2-yl (3Z)-3-[2-(ethylamino)-2-oxoethylidene]-6-methylpyrrolo[2,1-b][1,3]thiazole-7-carboxylate.
What is the SMILES notation for propan-2-yl (3Z)-3-[2-(ethylamino)-2-oxoethylidene]-6-methylpyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
The canonical SMILES for propan-2-yl (3Z)-3-[2-(ethylamino)-2-oxoethylidene]-6-methylpyrrolo[2,1-b][1,3]thiazole-7-carboxylate is CCNC(=O)/C=C1/CSc2c(C(=O)OC(C)C)c(C)cn21.
What is the InChIKey of propan-2-yl (3Z)-3-[2-(ethylamino)-2-oxoethylidene]-6-methylpyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
The InChIKey is MPRFPBZQDMJWMT-WDZFZDKYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-5-16-12(18)6-11-8-21-14-13(10(4)7-17(11)14)15(19)20-9(2)3/h6-7,9H,5,8H2,1-4H3,(H,16,18)/b11-6-.
What are the key properties of propan-2-yl (3Z)-3-[2-(ethylamino)-2-oxoethylidene]-6-methylpyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
propan-2-yl (3Z)-3-[2-(ethylamino)-2-oxoethylidene]-6-methylpyrrolo[2,1-b][1,3]thiazole-7-carboxylate has a molecular weight of 308.40 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (3Z)-3-[2-(ethylamino)-2-oxoethylidene]-6-methylpyrrolo[2,1-b][1,3]thiazole-7-carboxylate is sourced from PubChem (CID 22842912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).