2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethyl)phenyl]acetamide

C19H17F3N4O3S2 — CID 18587626

IUPAC2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(CSc2nnc(C)s2)cc1=O
InChIInChI=1S/C19H17F3N4O3S2/c1-11-24-25-18(31-11)30-10-14-7-15(27)16(29-2)8-26(14)9-17(28)23-13-5-3-12(4-6-13)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,23,28)
InChIKeyLHOGZLFOOUFRHP-UHFFFAOYSA-N
MW470.50 g/mol
LogP3.97
Rot. Bonds7

About 2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 18587626) has the molecular formula C19H17F3N4O3S2 and a molecular weight of 470.50 g/mol. Its IUPAC name is 2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID18587626
Molecular FormulaC19H17F3N4O3S2
Molecular Weight470.50 g/mol
Exact Mass470.07
IUPAC Name2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(CSc2nnc(C)s2)cc1=O
InChIInChI=1S/C19H17F3N4O3S2/c1-11-24-25-18(31-11)30-10-14-7-15(27)16(29-2)8-26(14)9-17(28)23-13-5-3-12(4-6-13)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,23,28)
InChIKeyLHOGZLFOOUFRHP-UHFFFAOYSA-N
XLogP3.97
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 18587626) is 2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethyl)phenyl]acetamide is COc1cn(CC(=O)Nc2ccc(C(F)(F)F)cc2)c(CSc2nnc(C)s2)cc1=O.
What is the InChIKey of 2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LHOGZLFOOUFRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3S2/c1-11-24-25-18(31-11)30-10-14-7-15(27)16(29-2)8-26(14)9-17(28)23-13-5-3-12(4-6-13)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,23,28).
What are the key properties of 2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 470.50 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 18587626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).