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

C19H19FN4O3S2 — CID 18587613

IUPACN-[(4-fluorophenyl)methyl]-2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)NCc2ccc(F)cc2)c(CSc2nnc(C)s2)cc1=O
InChIInChI=1S/C19H19FN4O3S2/c1-12-22-23-19(29-12)28-11-15-7-16(25)17(27-2)9-24(15)10-18(26)21-8-13-3-5-14(20)6-4-13/h3-7,9H,8,10-11H2,1-2H3,(H,21,26)
InChIKeySLBOTSPOAMUSRZ-UHFFFAOYSA-N
MW434.52 g/mol
LogP2.76
Rot. Bonds8

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

N-[(4-fluorophenyl)methyl]-2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide (PubChem CID 18587613) has the molecular formula C19H19FN4O3S2 and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
PubChem CID18587613
Molecular FormulaC19H19FN4O3S2
Molecular Weight434.52 g/mol
Exact Mass434.09
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide
SMILESCOc1cn(CC(=O)NCc2ccc(F)cc2)c(CSc2nnc(C)s2)cc1=O
InChIInChI=1S/C19H19FN4O3S2/c1-12-22-23-19(29-12)28-11-15-7-16(25)17(27-2)9-24(15)10-18(26)21-8-13-3-5-14(20)6-4-13/h3-7,9H,8,10-11H2,1-2H3,(H,21,26)
InChIKeySLBOTSPOAMUSRZ-UHFFFAOYSA-N
XLogP2.76
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 18587626
N-[(4-fluorophenyl)methyl]-2-[5-methoxy-2-(morpholin-4-ylmethyl)-4-oxo-1-pyridinyl]acetamide
CID 30544573
N-[(4-methoxyphenyl)methyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 763193
N-(4-chlorophenyl)-2-[2-[(4-fluorophenyl)sulfanylmethyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 18587759
N-[(4-fluorophenyl)methyl]-2-[2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 27451838
2-(3,4-dimethoxyphenyl)-N-[5-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
CID 42448358
N-(2,4-difluorophenyl)-2-[5-methoxy-4-oxo-2-(phenylsulfanylmethyl)-1-pyridinyl]acetamide
CID 26844680
N-[(4-fluorophenyl)methyl]-5-methoxy-1-methyl-4-oxopyridine-2-carboxamide
CID 53369192
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methoxy-4-oxo-1-pyridinyl]acetamide
CID 27451889
N-[2-methoxy-4-[[3-methoxy-4-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]phenyl]methyl]phenyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 4673802
2-[5-methoxy-4-oxo-2-(pyrimidin-2-ylsulfanylmethyl)-1-pyridinyl]-N-prop-2-enylacetamide
CID 18587704
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]acetamide
CID 9192585

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide (CID 18587613) is N-[(4-fluorophenyl)methyl]-2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide is COc1cn(CC(=O)NCc2ccc(F)cc2)c(CSc2nnc(C)s2)cc1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide?
The InChIKey is SLBOTSPOAMUSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3S2/c1-12-22-23-19(29-12)28-11-15-7-16(25)17(27-2)9-24(15)10-18(26)21-8-13-3-5-14(20)6-4-13/h3-7,9H,8,10-11H2,1-2H3,(H,21,26).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide?
N-[(4-fluorophenyl)methyl]-2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide has a molecular weight of 434.52 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[5-methoxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-4-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 18587613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).