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

C13H17N3O3S — CID 48731548

IUPAC7a-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1cc(CNC(=O)C2CSC3(C)CCC(=O)N23)on1
InChIInChI=1S/C13H17N3O3S/c1-8-5-9(19-15-8)6-14-12(18)10-7-20-13(2)4-3-11(17)16(10)13/h5,10H,3-4,6-7H2,1-2H3,(H,14,18)
InChIKeyRPLXKDJQJJGAAB-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.05
Rot. Bonds3

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

7a-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 48731548) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 7a-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name7a-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID48731548
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name7a-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1cc(CNC(=O)C2CSC3(C)CCC(=O)N23)on1
InChIInChI=1S/C13H17N3O3S/c1-8-5-9(19-15-8)6-14-12(18)10-7-20-13(2)4-3-11(17)16(10)13/h5,10H,3-4,6-7H2,1-2H3,(H,14,18)
InChIKeyRPLXKDJQJJGAAB-UHFFFAOYSA-N
XLogP1.05
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7a-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 7a-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 48731548) is 7a-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 7a-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 7a-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is Cc1cc(CNC(=O)C2CSC3(C)CCC(=O)N23)on1.
What is the InChIKey of 7a-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is RPLXKDJQJJGAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-8-5-9(19-15-8)6-14-12(18)10-7-20-13(2)4-3-11(17)16(10)13/h5,10H,3-4,6-7H2,1-2H3,(H,14,18).
What are the key properties of 7a-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
7a-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 48731548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).