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

C17H21FN2O3S — CID 51241659

IUPACN-[2-(2-fluorophenoxy)ethyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCN(CCOc1ccccc1F)C(=O)C1CSC2(C)CCC(=O)N12
InChIInChI=1S/C17H21FN2O3S/c1-17-8-7-15(21)20(17)13(11-24-17)16(22)19(2)9-10-23-14-6-4-3-5-12(14)18/h3-6,13H,7-11H2,1-2H3
InChIKeyJPHXOSMPDSQTGE-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.12
Rot. Bonds5

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

N-[2-(2-fluorophenoxy)ethyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 51241659) has the molecular formula C17H21FN2O3S and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID51241659
Molecular FormulaC17H21FN2O3S
Molecular Weight352.43 g/mol
Exact Mass352.13
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCN(CCOc1ccccc1F)C(=O)C1CSC2(C)CCC(=O)N12
InChIInChI=1S/C17H21FN2O3S/c1-17-8-7-15(21)20(17)13(11-24-17)16(22)19(2)9-10-23-14-6-4-3-5-12(14)18/h3-6,13H,7-11H2,1-2H3
InChIKeyJPHXOSMPDSQTGE-UHFFFAOYSA-N
XLogP2.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 78810496
N-[(2-chlorophenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 47004474
N-[2-(2-fluorophenoxy)-1-phenylethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 55737287
N,7a-dimethyl-5-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 25162001
N-[(5-chlorothiophen-2-yl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 51177693
N-[(4-fluorophenyl)methyl]-7a-methyl-5-oxo-N-pentyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 55362496
(3R,7aR)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 32902455
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 78982144
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 73420162
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 134036597
N-(4-bromophenyl)-7a-methyl-5-oxo-N-(pyridin-2-ylmethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 55887760
1-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylcyclopentane-1-carboxamide
CID 60938352

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 51241659) is N-[2-(2-fluorophenoxy)ethyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is CN(CCOc1ccccc1F)C(=O)C1CSC2(C)CCC(=O)N12.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is JPHXOSMPDSQTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3S/c1-17-8-7-15(21)20(17)13(11-24-17)16(22)19(2)9-10-23-14-6-4-3-5-12(14)18/h3-6,13H,7-11H2,1-2H3.
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
N-[2-(2-fluorophenoxy)ethyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 51241659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).