N-[4-(3,4-dichlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide

C19H12Cl2FN5O2S — CID 139237844

IUPACN-[4-(3,4-dichlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1nc(-c2ccc(Cl)c(Cl)c2)c(-n2cncn2)s1
InChIInChI=1S/C19H12Cl2FN5O2S/c20-14-6-1-11(7-15(14)21)17-18(27-10-23-9-24-27)30-19(26-17)25-16(28)8-29-13-4-2-12(22)3-5-13/h1-7,9-10H,8H2,(H,25,26,28)
InChIKeyMWELROPFAHJGOY-UHFFFAOYSA-N
MW464.31 g/mol
LogP4.85
Rot. Bonds6

About N-[4-(3,4-dichlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide

N-[4-(3,4-dichlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide (PubChem CID 139237844) has the molecular formula C19H12Cl2FN5O2S and a molecular weight of 464.31 g/mol. Its IUPAC name is N-[4-(3,4-dichlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(3,4-dichlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
PubChem CID139237844
Molecular FormulaC19H12Cl2FN5O2S
Molecular Weight464.31 g/mol
Exact Mass463.01
IUPAC NameN-[4-(3,4-dichlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(F)cc1)Nc1nc(-c2ccc(Cl)c(Cl)c2)c(-n2cncn2)s1
InChIInChI=1S/C19H12Cl2FN5O2S/c20-14-6-1-11(7-15(14)21)17-18(27-10-23-9-24-27)30-19(26-17)25-16(28)8-29-13-4-2-12(22)3-5-13/h1-7,9-10H,8H2,(H,25,26,28)
InChIKeyMWELROPFAHJGOY-UHFFFAOYSA-N
XLogP4.85
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.31
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dichlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-[4-(3,4-dichlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide (CID 139237844) is N-[4-(3,4-dichlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-[4-(3,4-dichlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-[4-(3,4-dichlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide is O=C(COc1ccc(F)cc1)Nc1nc(-c2ccc(Cl)c(Cl)c2)c(-n2cncn2)s1.
What is the InChIKey of N-[4-(3,4-dichlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide?
The InChIKey is MWELROPFAHJGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2FN5O2S/c20-14-6-1-11(7-15(14)21)17-18(27-10-23-9-24-27)30-19(26-17)25-16(28)8-29-13-4-2-12(22)3-5-13/h1-7,9-10H,8H2,(H,25,26,28).
What are the key properties of N-[4-(3,4-dichlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide?
N-[4-(3,4-dichlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide has a molecular weight of 464.31 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dichlorophenyl)-5-(1,2,4-triazol-1-yl)-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 139237844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).