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

C16H19ClN2O2S — CID 24983122

IUPACN-[1-(2-chlorophenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC(NC(=O)C1CSC2(C)CCC(=O)N12)c1ccccc1Cl
InChIInChI=1S/C16H19ClN2O2S/c1-10(11-5-3-4-6-12(11)17)18-15(21)13-9-22-16(2)8-7-14(20)19(13)16/h3-6,10,13H,7-9H2,1-2H3,(H,18,21)
InChIKeyGVWFVKYZWSGURS-UHFFFAOYSA-N
MW338.86 g/mol
LogP2.97
Rot. Bonds3

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

N-[1-(2-chlorophenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 24983122) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID24983122
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC(NC(=O)C1CSC2(C)CCC(=O)N12)c1ccccc1Cl
InChIInChI=1S/C16H19ClN2O2S/c1-10(11-5-3-4-6-12(11)17)18-15(21)13-9-22-16(2)8-7-14(20)19(13)16/h3-6,10,13H,7-9H2,1-2H3,(H,18,21)
InChIKeyGVWFVKYZWSGURS-UHFFFAOYSA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)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-chlorophenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 24983122) is N-[1-(2-chlorophenyl)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-chlorophenyl)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-chlorophenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is CC(NC(=O)C1CSC2(C)CCC(=O)N12)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is GVWFVKYZWSGURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c1-10(11-5-3-4-6-12(11)17)18-15(21)13-9-22-16(2)8-7-14(20)19(13)16/h3-6,10,13H,7-9H2,1-2H3,(H,18,21).
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
N-[1-(2-chlorophenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 338.86 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 24983122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).