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

C17H11Cl3N2OS2 — CID 5152633

IUPAC2-(3-chlorophenyl)sulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CSc1cccc(Cl)c1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C17H11Cl3N2OS2/c18-10-2-1-3-12(6-10)24-9-16(23)22-17-21-15(8-25-17)13-5-4-11(19)7-14(13)20/h1-8H,9H2,(H,21,22,23)
InChIKeyBOQOFJFUISPKGU-UHFFFAOYSA-N
MW429.78 g/mol
LogP6.50
Rot. Bonds5

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

2-(3-chlorophenyl)sulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 5152633) has the molecular formula C17H11Cl3N2OS2 and a molecular weight of 429.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID5152633
Molecular FormulaC17H11Cl3N2OS2
Molecular Weight429.78 g/mol
Exact Mass427.94
IUPAC Name2-(3-chlorophenyl)sulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CSc1cccc(Cl)c1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C17H11Cl3N2OS2/c18-10-2-1-3-12(6-10)24-9-16(23)22-17-21-15(8-25-17)13-5-4-11(19)7-14(13)20/h1-8H,9H2,(H,21,22,23)
InChIKeyBOQOFJFUISPKGU-UHFFFAOYSA-N
XLogP6.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.78
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-4-[3-[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylanilino]-4-oxobut-2-enoic acid
CID 18895347
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2,4,5-trichlorophenyl)sulfanylacetamide
CID 3822119
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19727839
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[3-[(2-methoxyphenyl)carbamothioylamino]phenyl]sulfanylacetamide
CID 19316128
N-[(Z)-1-(4-chlorophenyl)-3-[3-[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 19302232
N-[4-[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide
CID 19712134
2-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1290422
N-[(E)-3-[3-[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylanilino]-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
CID 19303600
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-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19315983
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(5-methyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19716035
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 19716322

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)sulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide (CID 5152633) is 2-(3-chlorophenyl)sulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)sulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)sulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide is O=C(CSc1cccc(Cl)c1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of 2-(3-chlorophenyl)sulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is BOQOFJFUISPKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3N2OS2/c18-10-2-1-3-12(6-10)24-9-16(23)22-17-21-15(8-25-17)13-5-4-11(19)7-14(13)20/h1-8H,9H2,(H,21,22,23).
What are the key properties of 2-(3-chlorophenyl)sulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide?
2-(3-chlorophenyl)sulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 429.78 g/mol, XLogP of 6.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 5152633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).