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

C18H15BrN2OS2 — CID 99192094

IUPACN-(3-bromophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
SMILESO=C(CSCc1csc(-c2ccccc2)n1)Nc1cccc(Br)c1
InChIInChI=1S/C18H15BrN2OS2/c19-14-7-4-8-15(9-14)20-17(22)12-23-10-16-11-24-18(21-16)13-5-2-1-3-6-13/h1-9,11H,10,12H2,(H,20,22)
InChIKeySJHDDSXTKKFFEW-UHFFFAOYSA-N
MW419.37 g/mol
LogP5.44
Rot. Bonds6

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

N-(3-bromophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide (PubChem CID 99192094) has the molecular formula C18H15BrN2OS2 and a molecular weight of 419.37 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
PubChem CID99192094
Molecular FormulaC18H15BrN2OS2
Molecular Weight419.37 g/mol
Exact Mass417.98
IUPAC NameN-(3-bromophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
SMILESO=C(CSCc1csc(-c2ccccc2)n1)Nc1cccc(Br)c1
InChIInChI=1S/C18H15BrN2OS2/c19-14-7-4-8-15(9-14)20-17(22)12-23-10-16-11-24-18(21-16)13-5-2-1-3-6-13/h1-9,11H,10,12H2,(H,20,22)
InChIKeySJHDDSXTKKFFEW-UHFFFAOYSA-N
XLogP5.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.37
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 38627971
N-cyclopropyl-3-[[2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide
CID 46581107
N-(2-methyl-6-propan-2-ylphenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
CID 55570763
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-pyridin-4-ylacetamide
CID 27700220
N-cyclopropyl-3-[[2-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetyl]amino]benzamide
CID 38630767
N-(3-cyanophenyl)-2-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 38628754
N-(3-hydroxyphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 78783427
2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 55812136
N-[3-[[2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 55537490
N-(2-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]acetamide
CID 84603565
2-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 46581013
2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 55570324

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide (CID 99192094) is N-(3-bromophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide is O=C(CSCc1csc(-c2ccccc2)n1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The InChIKey is SJHDDSXTKKFFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2OS2/c19-14-7-4-8-15(9-14)20-17(22)12-23-10-16-11-24-18(21-16)13-5-2-1-3-6-13/h1-9,11H,10,12H2,(H,20,22).
What are the key properties of N-(3-bromophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
N-(3-bromophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide has a molecular weight of 419.37 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 99192094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).