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

C19H25N3O2S — CID 25162259

IUPAC7a-methyl-5-oxo-N-(2-piperidin-1-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)Nc1ccccc1N1CCCCC1)CS2
InChIInChI=1S/C19H25N3O2S/c1-19-10-9-17(23)22(19)16(13-25-19)18(24)20-14-7-3-4-8-15(14)21-11-5-2-6-12-21/h3-4,7-8,16H,2,5-6,9-13H2,1H3,(H,20,24)
InChIKeyFWZUDBHTKHTENM-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.07
Rot. Bonds3

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

7a-methyl-5-oxo-N-(2-piperidin-1-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 25162259) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 7a-methyl-5-oxo-N-(2-piperidin-1-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name7a-methyl-5-oxo-N-(2-piperidin-1-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID25162259
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name7a-methyl-5-oxo-N-(2-piperidin-1-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)Nc1ccccc1N1CCCCC1)CS2
InChIInChI=1S/C19H25N3O2S/c1-19-10-9-17(23)22(19)16(13-25-19)18(24)20-14-7-3-4-8-15(14)21-11-5-2-6-12-21/h3-4,7-8,16H,2,5-6,9-13H2,1H3,(H,20,24)
InChIKeyFWZUDBHTKHTENM-UHFFFAOYSA-N
XLogP3.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7a-methyl-5-oxo-N-(2-piperidin-1-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 7a-methyl-5-oxo-N-(2-piperidin-1-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 25162259) is 7a-methyl-5-oxo-N-(2-piperidin-1-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 7a-methyl-5-oxo-N-(2-piperidin-1-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 7a-methyl-5-oxo-N-(2-piperidin-1-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is CC12CCC(=O)N1C(C(=O)Nc1ccccc1N1CCCCC1)CS2.
What is the InChIKey of 7a-methyl-5-oxo-N-(2-piperidin-1-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is FWZUDBHTKHTENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-19-10-9-17(23)22(19)16(13-25-19)18(24)20-14-7-3-4-8-15(14)21-11-5-2-6-12-21/h3-4,7-8,16H,2,5-6,9-13H2,1H3,(H,20,24).
What are the key properties of 7a-methyl-5-oxo-N-(2-piperidin-1-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
7a-methyl-5-oxo-N-(2-piperidin-1-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-5-oxo-N-(2-piperidin-1-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 25162259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).