N-[2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]benzamide

C16H10ClF3N4O2S — CID 16570286

IUPACN-[2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]benzamide
SMILESO=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)NC(=O)c1ccccc1
InChIInChI=1S/C16H10ClF3N4O2S/c17-11-6-10(16(18,19)20)7-24-13(11)22-23-15(24)27-8-12(25)21-14(26)9-4-2-1-3-5-9/h1-7H,8H2,(H,21,25,26)
InChIKeyGBIJRXNBWFTPQR-UHFFFAOYSA-N
MW414.80 g/mol
LogP3.45
Rot. Bonds4

About N-[2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]benzamide

N-[2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]benzamide (PubChem CID 16570286) has the molecular formula C16H10ClF3N4O2S and a molecular weight of 414.80 g/mol. Its IUPAC name is N-[2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]benzamide.

Molecular Properties

Compound NameN-[2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]benzamide
PubChem CID16570286
Molecular FormulaC16H10ClF3N4O2S
Molecular Weight414.80 g/mol
Exact Mass414.02
IUPAC NameN-[2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]benzamide
SMILESO=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)NC(=O)c1ccccc1
InChIInChI=1S/C16H10ClF3N4O2S/c17-11-6-10(16(18,19)20)7-24-13(11)22-23-15(24)27-8-12(25)21-14(26)9-4-2-1-3-5-9/h1-7H,8H2,(H,21,25,26)
InChIKeyGBIJRXNBWFTPQR-UHFFFAOYSA-N
XLogP3.45
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.80
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]benzamide with MolForge

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Related Compounds

N-[2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]acetyl]benzamide
CID 7878429
2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-1-phenylethanone
CID 18283011
N-benzyl-2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
CID 5033480
4-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-1-phenylbutan-1-one
CID 52890871
2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-cyclopropylacetamide
CID 4571979
N-(2-chloro-4-methylphenyl)-2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
CID 4551930
1-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-3,3-dimethylbutan-2-one
CID 52890870
1-(4-bromophenyl)-2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]ethanone
CID 17429772
2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 3922127
N-(4-bromo-3-methylphenyl)-2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
CID 4029629
2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
CID 7870670
N-(5-chloro-2-methoxyphenyl)-2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
CID 3453275

Frequently Asked Questions

What is the IUPAC name of N-[2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]benzamide?
The IUPAC name of N-[2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]benzamide (CID 16570286) is N-[2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]benzamide.
What is the SMILES notation for N-[2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]benzamide?
The canonical SMILES for N-[2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]benzamide is O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)NC(=O)c1ccccc1.
What is the InChIKey of N-[2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]benzamide?
The InChIKey is GBIJRXNBWFTPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N4O2S/c17-11-6-10(16(18,19)20)7-24-13(11)22-23-15(24)27-8-12(25)21-14(26)9-4-2-1-3-5-9/h1-7H,8H2,(H,21,25,26).
What are the key properties of N-[2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]benzamide?
N-[2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]benzamide has a molecular weight of 414.80 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetyl]benzamide is sourced from PubChem (CID 16570286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).