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

C24H16Cl3N5O2S2 — CID 3997488

IUPAC2-[[4-(4-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1)Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C24H16Cl3N5O2S2/c25-15-3-5-18(6-4-15)32-22(20-2-1-7-34-20)30-31-24(32)35-13-21(33)29-23-28-12-19(36-23)10-14-8-16(26)11-17(27)9-14/h1-9,11-12H,10,13H2,(H,28,29,33)
InChIKeyCNDYEHMASXBGRW-UHFFFAOYSA-N
MW576.92 g/mol
LogP7.27
Rot. Bonds8

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

2-[[4-(4-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 3997488) has the molecular formula C24H16Cl3N5O2S2 and a molecular weight of 576.92 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID3997488
Molecular FormulaC24H16Cl3N5O2S2
Molecular Weight576.92 g/mol
Exact Mass574.98
IUPAC Name2-[[4-(4-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1)Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C24H16Cl3N5O2S2/c25-15-3-5-18(6-4-15)32-22(20-2-1-7-34-20)30-31-24(32)35-13-21(33)29-23-28-12-19(36-23)10-14-8-16(26)11-17(27)9-14/h1-9,11-12H,10,13H2,(H,28,29,33)
InChIKeyCNDYEHMASXBGRW-UHFFFAOYSA-N
XLogP7.27
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.92
LogP ≤ 57.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[4-(4-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

2-[[4-(4-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 5108297
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[[4-(4-fluorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3890826
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1187746
2-[[4-(4-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
CID 2045615
N-(4-bromophenyl)-2-[[4-(4-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2042905
2-[[4-(4-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)acetamide
CID 2048443
2-[[4-(4-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide
CID 2045884
2-[[4-(4-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxyphenyl)acetamide
CID 5004801
N-[2-(4-chlorophenyl)ethyl]-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 112783438
2-[[4-(4-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 23773242
2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 2027271
N-[5-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1187779

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[[4-(4-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide (CID 3997488) is 2-[[4-(4-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[[4-(4-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide is O=C(CSc1nnc(-c2ccco2)n1-c1ccc(Cl)cc1)Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1.
What is the InChIKey of 2-[[4-(4-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is CNDYEHMASXBGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl3N5O2S2/c25-15-3-5-18(6-4-15)32-22(20-2-1-7-34-20)30-31-24(32)35-13-21(33)29-23-28-12-19(36-23)10-14-8-16(26)11-17(27)9-14/h1-9,11-12H,10,13H2,(H,28,29,33).
What are the key properties of 2-[[4-(4-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide?
2-[[4-(4-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 576.92 g/mol, XLogP of 7.27, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 3997488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).