(5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-2-one

C19H16FN9O2S — CID 10026915

IUPAC(5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-2-one
SMILESCn1nnc(-c2ccc(-c3ccc(N4C[C@H](CNc5cnsn5)OC4=O)cc3F)cn2)n1
InChIInChI=1S/C19H16FN9O2S/c1-28-25-18(24-27-28)16-5-2-11(7-21-16)14-4-3-12(6-15(14)20)29-10-13(31-19(29)30)8-22-17-9-23-32-26-17/h2-7,9,13H,8,10H2,1H3,(H,22,26)/t13-/m0/s1
InChIKeyNCNIFTOPYHJQEA-ZDUSSCGKSA-N
MW453.46 g/mol
LogP2.37
Rot. Bonds6

About (5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-2-one

(5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-2-one (PubChem CID 10026915) has the molecular formula C19H16FN9O2S and a molecular weight of 453.46 g/mol. Its IUPAC name is (5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-2-one
PubChem CID10026915
Molecular FormulaC19H16FN9O2S
Molecular Weight453.46 g/mol
Exact Mass453.11
IUPAC Name(5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-2-one
SMILESCn1nnc(-c2ccc(-c3ccc(N4C[C@H](CNc5cnsn5)OC4=O)cc3F)cn2)n1
InChIInChI=1S/C19H16FN9O2S/c1-28-25-18(24-27-28)16-5-2-11(7-21-16)14-4-3-12(6-15(14)20)29-10-13(31-19(29)30)8-22-17-9-23-32-26-17/h2-7,9,13H,8,10H2,1H3,(H,22,26)/t13-/m0/s1
InChIKeyNCNIFTOPYHJQEA-ZDUSSCGKSA-N
XLogP2.37
TPSA123.84 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze (5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-2-one (CID 10026915) is (5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-2-one is Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](CNc5cnsn5)OC4=O)cc3F)cn2)n1.
What is the InChIKey of (5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-2-one?
The InChIKey is NCNIFTOPYHJQEA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H16FN9O2S/c1-28-25-18(24-27-28)16-5-2-11(7-21-16)14-4-3-12(6-15(14)20)29-10-13(31-19(29)30)8-22-17-9-23-32-26-17/h2-7,9,13H,8,10H2,1H3,(H,22,26)/t13-/m0/s1.
What are the key properties of (5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-2-one?
(5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-2-one has a molecular weight of 453.46 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-[(1,2,5-thiadiazol-3-ylamino)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 10026915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).