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

C18H24N2O2S — CID 51150273

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1ccc(C)c(C(C)NC(=O)C2CSC3(C)CCC(=O)N23)c1
InChIInChI=1S/C18H24N2O2S/c1-11-5-6-12(2)14(9-11)13(3)19-17(22)15-10-23-18(4)8-7-16(21)20(15)18/h5-6,9,13,15H,7-8,10H2,1-4H3,(H,19,22)
InChIKeyOQHDEIDYHOKEET-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.93
Rot. Bonds3

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

N-[1-(2,5-dimethylphenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 51150273) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID51150273
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1ccc(C)c(C(C)NC(=O)C2CSC3(C)CCC(=O)N23)c1
InChIInChI=1S/C18H24N2O2S/c1-11-5-6-12(2)14(9-11)13(3)19-17(22)15-10-23-18(4)8-7-16(21)20(15)18/h5-6,9,13,15H,7-8,10H2,1-4H3,(H,19,22)
InChIKeyOQHDEIDYHOKEET-UHFFFAOYSA-N
XLogP2.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 51150273) is N-[1-(2,5-dimethylphenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is Cc1ccc(C)c(C(C)NC(=O)C2CSC3(C)CCC(=O)N23)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is OQHDEIDYHOKEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-11-5-6-12(2)14(9-11)13(3)19-17(22)15-10-23-18(4)8-7-16(21)20(15)18/h5-6,9,13,15H,7-8,10H2,1-4H3,(H,19,22).
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
N-[1-(2,5-dimethylphenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 51150273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).