5-chloro-2-hydroxy-N-[1-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide

C15H11ClF3N5O2S — CID 59581597

IUPAC5-chloro-2-hydroxy-N-[1-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide
SMILESCc1cnc(Cn2nc(NC(=O)c3cc(Cl)ccc3O)nc2C(F)(F)F)s1
InChIInChI=1S/C15H11ClF3N5O2S/c1-7-5-20-11(27-7)6-24-13(15(17,18)19)22-14(23-24)21-12(26)9-4-8(16)2-3-10(9)25/h2-5,25H,6H2,1H3,(H,21,23,26)
InChIKeyRJXUJDPDJQKSBU-UHFFFAOYSA-N
MW417.80 g/mol
LogP3.72
Rot. Bonds4

About 5-chloro-2-hydroxy-N-[1-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide

5-chloro-2-hydroxy-N-[1-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide (PubChem CID 59581597) has the molecular formula C15H11ClF3N5O2S and a molecular weight of 417.80 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-[1-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-[1-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide
PubChem CID59581597
Molecular FormulaC15H11ClF3N5O2S
Molecular Weight417.80 g/mol
Exact Mass417.03
IUPAC Name5-chloro-2-hydroxy-N-[1-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide
SMILESCc1cnc(Cn2nc(NC(=O)c3cc(Cl)ccc3O)nc2C(F)(F)F)s1
InChIInChI=1S/C15H11ClF3N5O2S/c1-7-5-20-11(27-7)6-24-13(15(17,18)19)22-14(23-24)21-12(26)9-4-8(16)2-3-10(9)25/h2-5,25H,6H2,1H3,(H,21,23,26)
InChIKeyRJXUJDPDJQKSBU-UHFFFAOYSA-N
XLogP3.72
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.80
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-[1-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-[1-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide (CID 59581597) is 5-chloro-2-hydroxy-N-[1-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-[1-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-[1-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide is Cc1cnc(Cn2nc(NC(=O)c3cc(Cl)ccc3O)nc2C(F)(F)F)s1.
What is the InChIKey of 5-chloro-2-hydroxy-N-[1-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide?
The InChIKey is RJXUJDPDJQKSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N5O2S/c1-7-5-20-11(27-7)6-24-13(15(17,18)19)22-14(23-24)21-12(26)9-4-8(16)2-3-10(9)25/h2-5,25H,6H2,1H3,(H,21,23,26).
What are the key properties of 5-chloro-2-hydroxy-N-[1-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide?
5-chloro-2-hydroxy-N-[1-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide has a molecular weight of 417.80 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-[1-[(5-methyl-1,3-thiazol-2-yl)methyl]-5-(trifluoromethyl)-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 59581597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).