2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide

C20H22FN3OS — CID 24631847

IUPAC2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide
SMILESCc1nc(-c2cc(C)n(CC(=O)NCCc3cccc(F)c3)c2C)cs1
InChIInChI=1S/C20H22FN3OS/c1-13-9-18(19-12-26-15(3)23-19)14(2)24(13)11-20(25)22-8-7-16-5-4-6-17(21)10-16/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,22,25)
InChIKeyOFCOYOKZIKAEBD-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.03
Rot. Bonds6

About 2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide

2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide (PubChem CID 24631847) has the molecular formula C20H22FN3OS and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide
PubChem CID24631847
Molecular FormulaC20H22FN3OS
Molecular Weight371.48 g/mol
Exact Mass371.15
IUPAC Name2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide
SMILESCc1nc(-c2cc(C)n(CC(=O)NCCc3cccc(F)c3)c2C)cs1
InChIInChI=1S/C20H22FN3OS/c1-13-9-18(19-12-26-15(3)23-19)14(2)24(13)11-20(25)22-8-7-16-5-4-6-17(21)10-16/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,22,25)
InChIKeyOFCOYOKZIKAEBD-UHFFFAOYSA-N
XLogP4.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 24631725
2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 24686776
2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24631881
N-[2-(3-fluorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31593146
2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]acetamide
CID 24631819
2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 24631708
N-(cyclobutylmethyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetamide
CID 38653658
2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 32543368
2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 32543362
N'-(4-bromophenyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetohydrazide
CID 75402686
2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-(oxolan-3-ylmethyl)acetamide
CID 51079019
N-[2-(3-fluorophenyl)ethyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 18100521

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide (CID 24631847) is 2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide is Cc1nc(-c2cc(C)n(CC(=O)NCCc3cccc(F)c3)c2C)cs1.
What is the InChIKey of 2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide?
The InChIKey is OFCOYOKZIKAEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3OS/c1-13-9-18(19-12-26-15(3)23-19)14(2)24(13)11-20(25)22-8-7-16-5-4-6-17(21)10-16/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,22,25).
What are the key properties of 2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide?
2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide has a molecular weight of 371.48 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]-N-[2-(3-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 24631847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).