N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide

C19H14FN5O2S — CID 86991643

IUPACN-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESCOc1ccc(F)cc1-c1csc(NC(=O)c2ccc(-n3cncn3)cc2)n1
InChIInChI=1S/C19H14FN5O2S/c1-27-17-7-4-13(20)8-15(17)16-9-28-19(23-16)24-18(26)12-2-5-14(6-3-12)25-11-21-10-22-25/h2-11H,1H3,(H,23,24,26)
InChIKeyLYLYTOUBHCVDLA-UHFFFAOYSA-N
MW395.42 g/mol
LogP3.79
Rot. Bonds5

About N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide

N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 86991643) has the molecular formula C19H14FN5O2S and a molecular weight of 395.42 g/mol. Its IUPAC name is N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID86991643
Molecular FormulaC19H14FN5O2S
Molecular Weight395.42 g/mol
Exact Mass395.09
IUPAC NameN-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESCOc1ccc(F)cc1-c1csc(NC(=O)c2ccc(-n3cncn3)cc2)n1
InChIInChI=1S/C19H14FN5O2S/c1-27-17-7-4-13(20)8-15(17)16-9-28-19(23-16)24-18(26)12-2-5-14(6-3-12)25-11-21-10-22-25/h2-11H,1H3,(H,23,24,26)
InChIKeyLYLYTOUBHCVDLA-UHFFFAOYSA-N
XLogP3.79
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide (CID 86991643) is N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide is COc1ccc(F)cc1-c1csc(NC(=O)c2ccc(-n3cncn3)cc2)n1.
What is the InChIKey of N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is LYLYTOUBHCVDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O2S/c1-27-17-7-4-13(20)8-15(17)16-9-28-19(23-16)24-18(26)12-2-5-14(6-3-12)25-11-21-10-22-25/h2-11H,1H3,(H,23,24,26).
What are the key properties of N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide?
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 395.42 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 86991643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).