N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,4-dichlorophenyl)sulfanylacetamide

C17H11BrCl2N2OS2 — CID 23765185

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,4-dichlorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(Cl)cc1Cl)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C17H11BrCl2N2OS2/c18-11-3-1-10(2-4-11)14-8-25-17(21-14)22-16(23)9-24-15-6-5-12(19)7-13(15)20/h1-8H,9H2,(H,21,22,23)
InChIKeyICWQOLCZWSYYDK-UHFFFAOYSA-N
MW474.23 g/mol
LogP6.61
Rot. Bonds5

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,4-dichlorophenyl)sulfanylacetamide

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,4-dichlorophenyl)sulfanylacetamide (PubChem CID 23765185) has the molecular formula C17H11BrCl2N2OS2 and a molecular weight of 474.23 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,4-dichlorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,4-dichlorophenyl)sulfanylacetamide
PubChem CID23765185
Molecular FormulaC17H11BrCl2N2OS2
Molecular Weight474.23 g/mol
Exact Mass471.89
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,4-dichlorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(Cl)cc1Cl)Nc1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C17H11BrCl2N2OS2/c18-11-3-1-10(2-4-11)14-8-25-17(21-14)22-16(23)9-24-15-6-5-12(19)7-13(15)20/h1-8H,9H2,(H,21,22,23)
InChIKeyICWQOLCZWSYYDK-UHFFFAOYSA-N
XLogP6.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.23
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2,4,5-trichlorophenyl)sulfanylacetamide
CID 3822119
2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide
CID 4243160
2-(4-chlorophenyl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1479323
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[[5-[1-(2,4-dichlorophenoxy)ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19639846
N-[(1S)-1-[3-[2-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-yl]-2-methylpropyl]-2,4-dichlorobenzamide
CID 126165908
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]acetamide
CID 22194824
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 3939996
2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 4006854
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[[5-[1-(2,4-dichlorophenoxy)ethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17306920
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)sulfanylacetamide
CID 23765637
2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 87665337
2-(4-chlorophenyl)sulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19203551

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,4-dichlorophenyl)sulfanylacetamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,4-dichlorophenyl)sulfanylacetamide (CID 23765185) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,4-dichlorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,4-dichlorophenyl)sulfanylacetamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,4-dichlorophenyl)sulfanylacetamide is O=C(CSc1ccc(Cl)cc1Cl)Nc1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,4-dichlorophenyl)sulfanylacetamide?
The InChIKey is ICWQOLCZWSYYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrCl2N2OS2/c18-11-3-1-10(2-4-11)14-8-25-17(21-14)22-16(23)9-24-15-6-5-12(19)7-13(15)20/h1-8H,9H2,(H,21,22,23).
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,4-dichlorophenyl)sulfanylacetamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,4-dichlorophenyl)sulfanylacetamide has a molecular weight of 474.23 g/mol, XLogP of 6.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,4-dichlorophenyl)sulfanylacetamide is sourced from PubChem (CID 23765185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).