N-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide

C18H14ClFN2OS2 — CID 16899844

IUPACN-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(SCc2ccc(F)cc2)n1)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H14ClFN2OS2/c19-13-3-7-15(8-4-13)21-17(23)9-16-11-25-18(22-16)24-10-12-1-5-14(20)6-2-12/h1-8,11H,9-10H2,(H,21,23)
InChIKeyMWCCTFMPNDBZKD-UHFFFAOYSA-N
MW392.91 g/mol
LogP5.41
Rot. Bonds6

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

N-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide (PubChem CID 16899844) has the molecular formula C18H14ClFN2OS2 and a molecular weight of 392.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
PubChem CID16899844
Molecular FormulaC18H14ClFN2OS2
Molecular Weight392.91 g/mol
Exact Mass392.02
IUPAC NameN-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(SCc2ccc(F)cc2)n1)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H14ClFN2OS2/c19-13-3-7-15(8-4-13)21-17(23)9-16-11-25-18(22-16)24-10-12-1-5-14(20)6-2-12/h1-8,11H,9-10H2,(H,21,23)
InChIKeyMWCCTFMPNDBZKD-UHFFFAOYSA-N
XLogP5.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.91
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide (CID 16899844) is N-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(SCc2ccc(F)cc2)n1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide?
The InChIKey is MWCCTFMPNDBZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2OS2/c19-13-3-7-15(8-4-13)21-17(23)9-16-11-25-18(22-16)24-10-12-1-5-14(20)6-2-12/h1-8,11H,9-10H2,(H,21,23).
What are the key properties of N-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide?
N-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide has a molecular weight of 392.91 g/mol, XLogP of 5.41, 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-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 16899844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).