N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(4-methoxyphenyl)propanamide

C21H21FN2O2S — CID 7518483

IUPACN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C21H21FN2O2S/c1-26-19-8-5-15(6-9-19)7-10-20(25)23-12-11-18-14-27-21(24-18)16-3-2-4-17(22)13-16/h2-6,8-9,13-14H,7,10-12H2,1H3,(H,23,25)
InChIKeyQZBCYZRCRSYQMN-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.25
Rot. Bonds8

About N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(4-methoxyphenyl)propanamide

N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 7518483) has the molecular formula C21H21FN2O2S and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(4-methoxyphenyl)propanamide
PubChem CID7518483
Molecular FormulaC21H21FN2O2S
Molecular Weight384.48 g/mol
Exact Mass384.13
IUPAC NameN-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C21H21FN2O2S/c1-26-19-8-5-15(6-9-19)7-10-20(25)23-12-11-18-14-27-21(24-18)16-3-2-4-17(22)13-16/h2-6,8-9,13-14H,7,10-12H2,1H3,(H,23,25)
InChIKeyQZBCYZRCRSYQMN-UHFFFAOYSA-N
XLogP4.25
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
CID 2098654
2-(2-methoxyphenyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 2738815
2-(3-methoxyphenyl)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2796264
4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 852133
2-Acetylaminomethyl-4,5-bis(4-methoxyphenyl)thiazole
CID 10044540
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-phenylsulfanylacetamide
CID 10050685
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-methylsulfanylacetamide
CID 10364476
(S)-benzyl 1-(2-(4-methoxyphenyl)thiazol-4-yl)-5-(sulfamoylamino)pentylcarbamate
CID 44572561
4-[2-[4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-5-yl]thiazol-4-yl]benzonitrile
CID 71292660
2-[4-(1,3-benzothiazol-2-yloxy)-2-fluorophenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 155545668
N-{2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl}-N'-(2-methoxyphenyl)ethanediamide
CID 7216680
N,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472618

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(4-methoxyphenyl)propanamide (CID 7518483) is N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1.
What is the InChIKey of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is QZBCYZRCRSYQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2S/c1-26-19-8-5-15(6-9-19)7-10-20(25)23-12-11-18-14-27-21(24-18)16-3-2-4-17(22)13-16/h2-6,8-9,13-14H,7,10-12H2,1H3,(H,23,25).
What are the key properties of N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(4-methoxyphenyl)propanamide?
N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 384.48 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 7518483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).