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

C17H22N2O2S — CID 17433026

IUPAC7a-methyl-5-oxo-N-(4-propan-2-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CSC3(C)CCC(=O)N23)cc1
InChIInChI=1S/C17H22N2O2S/c1-11(2)12-4-6-13(7-5-12)18-16(21)14-10-22-17(3)9-8-15(20)19(14)17/h4-7,11,14H,8-10H2,1-3H3,(H,18,21)
InChIKeyUTIHNLQUJYQOLB-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.20
Rot. Bonds3

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

7a-methyl-5-oxo-N-(4-propan-2-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 17433026) has the molecular formula C17H22N2O2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 7a-methyl-5-oxo-N-(4-propan-2-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name7a-methyl-5-oxo-N-(4-propan-2-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID17433026
Molecular FormulaC17H22N2O2S
Molecular Weight318.44 g/mol
Exact Mass318.14
IUPAC Name7a-methyl-5-oxo-N-(4-propan-2-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2CSC3(C)CCC(=O)N23)cc1
InChIInChI=1S/C17H22N2O2S/c1-11(2)12-4-6-13(7-5-12)18-16(21)14-10-22-17(3)9-8-15(20)19(14)17/h4-7,11,14H,8-10H2,1-3H3,(H,18,21)
InChIKeyUTIHNLQUJYQOLB-UHFFFAOYSA-N
XLogP3.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7a-methyl-5-oxo-N-(4-propan-2-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 7a-methyl-5-oxo-N-(4-propan-2-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 17433026) is 7a-methyl-5-oxo-N-(4-propan-2-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-(4-propan-2-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 7a-methyl-5-oxo-N-(4-propan-2-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is CC(C)c1ccc(NC(=O)C2CSC3(C)CCC(=O)N23)cc1.
What is the InChIKey of 7a-methyl-5-oxo-N-(4-propan-2-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is UTIHNLQUJYQOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S/c1-11(2)12-4-6-13(7-5-12)18-16(21)14-10-22-17(3)9-8-15(20)19(14)17/h4-7,11,14H,8-10H2,1-3H3,(H,18,21).
What are the key properties of 7a-methyl-5-oxo-N-(4-propan-2-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
7a-methyl-5-oxo-N-(4-propan-2-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 318.44 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-5-oxo-N-(4-propan-2-ylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 17433026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).