7a-methyl-N-(2-morpholin-4-ylphenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

C18H23N3O3S — CID 24686926

IUPAC7a-methyl-N-(2-morpholin-4-ylphenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)Nc1ccccc1N1CCOCC1)CS2
InChIInChI=1S/C18H23N3O3S/c1-18-7-6-16(22)21(18)15(12-25-18)17(23)19-13-4-2-3-5-14(13)20-8-10-24-11-9-20/h2-5,15H,6-12H2,1H3,(H,19,23)
InChIKeyGUEIKJJLAYENJI-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.92
Rot. Bonds3

About 7a-methyl-N-(2-morpholin-4-ylphenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

7a-methyl-N-(2-morpholin-4-ylphenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 24686926) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 7a-methyl-N-(2-morpholin-4-ylphenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name7a-methyl-N-(2-morpholin-4-ylphenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID24686926
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name7a-methyl-N-(2-morpholin-4-ylphenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)Nc1ccccc1N1CCOCC1)CS2
InChIInChI=1S/C18H23N3O3S/c1-18-7-6-16(22)21(18)15(12-25-18)17(23)19-13-4-2-3-5-14(13)20-8-10-24-11-9-20/h2-5,15H,6-12H2,1H3,(H,19,23)
InChIKeyGUEIKJJLAYENJI-UHFFFAOYSA-N
XLogP1.92
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7a-methyl-N-(2-morpholin-4-ylphenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 7a-methyl-N-(2-morpholin-4-ylphenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 24686926) is 7a-methyl-N-(2-morpholin-4-ylphenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 7a-methyl-N-(2-morpholin-4-ylphenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 7a-methyl-N-(2-morpholin-4-ylphenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is CC12CCC(=O)N1C(C(=O)Nc1ccccc1N1CCOCC1)CS2.
What is the InChIKey of 7a-methyl-N-(2-morpholin-4-ylphenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is GUEIKJJLAYENJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-18-7-6-16(22)21(18)15(12-25-18)17(23)19-13-4-2-3-5-14(13)20-8-10-24-11-9-20/h2-5,15H,6-12H2,1H3,(H,19,23).
What are the key properties of 7a-methyl-N-(2-morpholin-4-ylphenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
7a-methyl-N-(2-morpholin-4-ylphenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-N-(2-morpholin-4-ylphenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 24686926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).