N-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]phenyl]acetamide

C19H18N2OS2 — CID 4789560

IUPACN-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(SCc2csc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C19H18N2OS2/c1-13-3-5-15(6-4-13)19-21-17(12-24-19)11-23-18-9-7-16(8-10-18)20-14(2)22/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyNOTUFJDHEWJULM-UHFFFAOYSA-N
MW354.50 g/mol
LogP5.37
Rot. Bonds5

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

N-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]phenyl]acetamide (PubChem CID 4789560) has the molecular formula C19H18N2OS2 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]phenyl]acetamide
PubChem CID4789560
Molecular FormulaC19H18N2OS2
Molecular Weight354.50 g/mol
Exact Mass354.09
IUPAC NameN-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(SCc2csc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C19H18N2OS2/c1-13-3-5-15(6-4-13)19-21-17(12-24-19)11-23-18-9-7-16(8-10-18)20-14(2)22/h3-10,12H,11H2,1-2H3,(H,20,22)
InChIKeyNOTUFJDHEWJULM-UHFFFAOYSA-N
XLogP5.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.50
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]acetamide
CID 4795879
2-[4-[(4-acetamidophenyl)sulfanylmethyl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide
CID 2567540
N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]acetamide
CID 110351882
N-(4-acetylphenyl)-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
CID 46581137
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8815667
N'-(4-methylphenyl)-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]oxamide
CID 7287534
(2S,3S)-1,4-bis[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]butane-2,3-diol
CID 98082805
ethyl N-[2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]ethyl]carbamate
CID 110351919
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 55569763
N-(4-acetamidophenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23889516
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 9307368
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8815864

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]phenyl]acetamide?
The IUPAC name of N-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]phenyl]acetamide (CID 4789560) is N-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]phenyl]acetamide is CC(=O)Nc1ccc(SCc2csc(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of N-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]phenyl]acetamide?
The InChIKey is NOTUFJDHEWJULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS2/c1-13-3-5-15(6-4-13)19-21-17(12-24-19)11-23-18-9-7-16(8-10-18)20-14(2)22/h3-10,12H,11H2,1-2H3,(H,20,22).
What are the key properties of N-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]phenyl]acetamide?
N-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]phenyl]acetamide has a molecular weight of 354.50 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]phenyl]acetamide is sourced from PubChem (CID 4789560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).