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

C22H23FN2O3S — CID 55737287

IUPACN-[2-(2-fluorophenoxy)-1-phenylethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)NC(COc1ccccc1F)c1ccccc1)CS2
InChIInChI=1S/C22H23FN2O3S/c1-22-12-11-20(26)25(22)18(14-29-22)21(27)24-17(15-7-3-2-4-8-15)13-28-19-10-6-5-9-16(19)23/h2-10,17-18H,11-14H2,1H3,(H,24,27)
InChIKeyCTKGFXZJSHCBCZ-UHFFFAOYSA-N
MW414.50 g/mol
LogP3.52
Rot. Bonds6

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

N-[2-(2-fluorophenoxy)-1-phenylethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 55737287) has the molecular formula C22H23FN2O3S and a molecular weight of 414.50 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)-1-phenylethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)-1-phenylethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID55737287
Molecular FormulaC22H23FN2O3S
Molecular Weight414.50 g/mol
Exact Mass414.14
IUPAC NameN-[2-(2-fluorophenoxy)-1-phenylethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)NC(COc1ccccc1F)c1ccccc1)CS2
InChIInChI=1S/C22H23FN2O3S/c1-22-12-11-20(26)25(22)18(14-29-22)21(27)24-17(15-7-3-2-4-8-15)13-28-19-10-6-5-9-16(19)23/h2-10,17-18H,11-14H2,1H3,(H,24,27)
InChIKeyCTKGFXZJSHCBCZ-UHFFFAOYSA-N
XLogP3.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(2-fluorophenoxy)-1-phenylethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,2-diphenylethyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 43022082
N-[2-(benzimidazol-1-yl)-1-(4-fluorophenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 55737204
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
(3R,7aS)-7a-methyl-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 31462570
(3S,7aR)-7a-methyl-5-oxo-N-propan-2-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 94334881
N-(2,5-difluorophenyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 42909172
N-[2-(2-fluorophenoxy)-1-phenylethyl]-1,4-dithiane-2-carboxamide
CID 87004751
2-[[2-(2-fluorophenoxy)-1-phenylethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119181692
2-(cyclopropylmethylamino)-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide
CID 119735715
(3R,7aR)-7a-methyl-5-oxo-N-(2-phenylethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 26865707
N-[2-(2-fluorophenoxy)-1-phenylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55799758
7a-methyl-5-oxo-N-(4-phenylphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 51155666

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)-1-phenylethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 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) is N-[2-(2-fluorophenoxy)-1-phenylethyl]-7a-methyl-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)-1-phenylethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)-1-phenylethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is CC12CCC(=O)N1C(C(=O)NC(COc1ccccc1F)c1ccccc1)CS2.
What is the InChIKey of N-[2-(2-fluorophenoxy)-1-phenylethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is CTKGFXZJSHCBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3S/c1-22-12-11-20(26)25(22)18(14-29-22)21(27)24-17(15-7-3-2-4-8-15)13-28-19-10-6-5-9-16(19)23/h2-10,17-18H,11-14H2,1H3,(H,24,27).
What are the key properties of N-[2-(2-fluorophenoxy)-1-phenylethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
N-[2-(2-fluorophenoxy)-1-phenylethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 414.50 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)-1-phenylethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 55737287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).