N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C18H14ClFN2OS2 — CID 4852253

IUPACN-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2cc(Cl)ccc2Sc2ccc(F)cc2)cs1
InChIInChI=1S/C18H14ClFN2OS2/c1-11-21-14(10-24-11)9-18(23)22-16-8-12(19)2-7-17(16)25-15-5-3-13(20)4-6-15/h2-8,10H,9H2,1H3,(H,22,23)
InChIKeyWLHCPEGQDAXZCP-UHFFFAOYSA-N
MW392.91 g/mol
LogP5.58
Rot. Bonds5

About N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 4852253) has the molecular formula C18H14ClFN2OS2 and a molecular weight of 392.91 g/mol. Its IUPAC name is N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID4852253
Molecular FormulaC18H14ClFN2OS2
Molecular Weight392.91 g/mol
Exact Mass392.02
IUPAC NameN-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)Nc2cc(Cl)ccc2Sc2ccc(F)cc2)cs1
InChIInChI=1S/C18H14ClFN2OS2/c1-11-21-14(10-24-11)9-18(23)22-16-8-12(19)2-7-17(16)25-15-5-3-13(20)4-6-15/h2-8,10H,9H2,1H3,(H,22,23)
InChIKeyWLHCPEGQDAXZCP-UHFFFAOYSA-N
XLogP5.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.91
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
CID 30941377
N-(2-fluoro-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 35595769
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29457013
N-(3-chloro-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31507606
N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(tetrazol-1-yl)acetamide
CID 17470876
N-(2,6-difluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 110463255
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29455630
N-(5-chloro-2-methylphenyl)-2-(4-fluorophenyl)acetamide
CID 808427
N-(2,5-dichlorophenyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38886003
2-fluoro-6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid
CID 43442748
N-(4-chloro-2-fluorophenyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8777429
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-fluoro-2-methylphenyl)acetamide
CID 16560761

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 4852253) is N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)Nc2cc(Cl)ccc2Sc2ccc(F)cc2)cs1.
What is the InChIKey of N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is WLHCPEGQDAXZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2OS2/c1-11-21-14(10-24-11)9-18(23)22-16-8-12(19)2-7-17(16)25-15-5-3-13(20)4-6-15/h2-8,10H,9H2,1H3,(H,22,23).
What are the key properties of N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 392.91 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-fluorophenyl)sulfanylphenyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 4852253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).