N-[[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide

C19H19N3O2S — CID 9343440

IUPACN-[[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
SMILESCOc1ccc(Nc2nc(-c3ccc(CNC(C)=O)cc3)cs2)cc1
InChIInChI=1S/C19H19N3O2S/c1-13(23)20-11-14-3-5-15(6-4-14)18-12-25-19(22-18)21-16-7-9-17(24-2)10-8-16/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyAFAYMOBRXBRSPX-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.20
Rot. Bonds6

About N-[[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide

N-[[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide (PubChem CID 9343440) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
PubChem CID9343440
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-[[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
SMILESCOc1ccc(Nc2nc(-c3ccc(CNC(C)=O)cc3)cs2)cc1
InChIInChI=1S/C19H19N3O2S/c1-13(23)20-11-14-3-5-15(6-4-14)18-12-25-19(22-18)21-16-7-9-17(24-2)10-8-16/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyAFAYMOBRXBRSPX-UHFFFAOYSA-N
XLogP4.20
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343570
N-[[4-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 24505657
N-[[4-[2-(3-chloro-4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343278
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565354
4-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 4093037
[4-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate
CID 108739741
ethyl N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamate
CID 108739772
N-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
CID 17398323
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-methylphenoxy)propanamide
CID 31893475
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
CID 108762412
3-acetamido-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 2090742
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide (CID 9343440) is N-[[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide is COc1ccc(Nc2nc(-c3ccc(CNC(C)=O)cc3)cs2)cc1.
What is the InChIKey of N-[[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide?
The InChIKey is AFAYMOBRXBRSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13(23)20-11-14-3-5-15(6-4-14)18-12-25-19(22-18)21-16-7-9-17(24-2)10-8-16/h3-10,12H,11H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-[[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide?
N-[[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide has a molecular weight of 353.45 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 9343440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).