N-(4-chlorophenyl)-2-[[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]sulfanyl]acetamide

C19H15Cl3N2OS2 — CID 18871484

IUPACN-(4-chlorophenyl)-2-[[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESCc1nc(SCC(=O)Nc2ccc(Cl)cc2)sc1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H15Cl3N2OS2/c1-11-17(9-12-8-14(21)4-7-16(12)22)27-19(23-11)26-10-18(25)24-15-5-2-13(20)3-6-15/h2-8H,9-10H2,1H3,(H,24,25)
InChIKeyKHYFFCDBQQEBLH-UHFFFAOYSA-N
MW457.84 g/mol
LogP6.73
Rot. Bonds6

About N-(4-chlorophenyl)-2-[[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]sulfanyl]acetamide

N-(4-chlorophenyl)-2-[[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]sulfanyl]acetamide (PubChem CID 18871484) has the molecular formula C19H15Cl3N2OS2 and a molecular weight of 457.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]sulfanyl]acetamide
PubChem CID18871484
Molecular FormulaC19H15Cl3N2OS2
Molecular Weight457.84 g/mol
Exact Mass455.97
IUPAC NameN-(4-chlorophenyl)-2-[[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]sulfanyl]acetamide
SMILESCc1nc(SCC(=O)Nc2ccc(Cl)cc2)sc1Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C19H15Cl3N2OS2/c1-11-17(9-12-8-14(21)4-7-16(12)22)27-19(23-11)26-10-18(25)24-15-5-2-13(20)3-6-15/h2-8H,9-10H2,1H3,(H,24,25)
InChIKeyKHYFFCDBQQEBLH-UHFFFAOYSA-N
XLogP6.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.84
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
CID 18871467
N-[3,5-bis(trifluoromethyl)phenyl]-2-[[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 18871499
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 18871551
2-[[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-(2-phenylethyl)acetamide
CID 18871576
2-[[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]sulfanyl]-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 18871632
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
CID 1379298
2-[2-[2-(3,5-difluoroanilino)-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide
CID 46683651
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[7-[[2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]naphthalen-2-yl]acetamide
CID 17325039
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3,5-dichlorophenyl)acetamide
CID 5024075
2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(4-chlorophenyl)acetamide
CID 16898739
2-[2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-phenylacetamide
CID 16899303
N-(4-chlorophenyl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetamide
CID 3657089

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]sulfanyl]acetamide (CID 18871484) is N-(4-chlorophenyl)-2-[[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]sulfanyl]acetamide is Cc1nc(SCC(=O)Nc2ccc(Cl)cc2)sc1Cc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(4-chlorophenyl)-2-[[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]sulfanyl]acetamide?
The InChIKey is KHYFFCDBQQEBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3N2OS2/c1-11-17(9-12-8-14(21)4-7-16(12)22)27-19(23-11)26-10-18(25)24-15-5-2-13(20)3-6-15/h2-8H,9-10H2,1H3,(H,24,25).
What are the key properties of N-(4-chlorophenyl)-2-[[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]sulfanyl]acetamide?
N-(4-chlorophenyl)-2-[[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]sulfanyl]acetamide has a molecular weight of 457.84 g/mol, XLogP of 6.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[5-[(2,5-dichlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 18871484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).