5-fluoro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(tetrazol-1-yl)benzamide

C14H12FN7O2S — CID 51054659

IUPAC5-fluoro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1nnc(C2CCCO2)s1)c1cc(F)ccc1-n1cnnn1
InChIInChI=1S/C14H12FN7O2S/c15-8-3-4-10(22-7-16-20-21-22)9(6-8)12(23)17-14-19-18-13(25-14)11-2-1-5-24-11/h3-4,6-7,11H,1-2,5H2,(H,17,19,23)
InChIKeyVKVGPGSHLAQMPC-UHFFFAOYSA-N
MW361.36 g/mol
LogP1.76
Rot. Bonds4

About 5-fluoro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(tetrazol-1-yl)benzamide

5-fluoro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(tetrazol-1-yl)benzamide (PubChem CID 51054659) has the molecular formula C14H12FN7O2S and a molecular weight of 361.36 g/mol. Its IUPAC name is 5-fluoro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-fluoro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(tetrazol-1-yl)benzamide
PubChem CID51054659
Molecular FormulaC14H12FN7O2S
Molecular Weight361.36 g/mol
Exact Mass361.08
IUPAC Name5-fluoro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1nnc(C2CCCO2)s1)c1cc(F)ccc1-n1cnnn1
InChIInChI=1S/C14H12FN7O2S/c15-8-3-4-10(22-7-16-20-21-22)9(6-8)12(23)17-14-19-18-13(25-14)11-2-1-5-24-11/h3-4,6-7,11H,1-2,5H2,(H,17,19,23)
InChIKeyVKVGPGSHLAQMPC-UHFFFAOYSA-N
XLogP1.76
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 734593
4-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 39040742
3-chloro-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 51721207
4-ethyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 35540422
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-yl)benzamide
CID 29411630
1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]indole-3-carboxamide
CID 51973075
N-[(4S)-2,2-dimethyloxan-4-yl]-5-fluoro-2-(tetrazol-1-yl)benzamide
CID 95391515
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]furan-2-carboxamide
CID 19182049
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-5-fluoro-2-(tetrazol-1-yl)benzamide
CID 163076007
N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 51719641
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide
CID 3926032
5-fluoro-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-(tetrazol-1-yl)benzamide
CID 29127937

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 5-fluoro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(tetrazol-1-yl)benzamide (CID 51054659) is 5-fluoro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 5-fluoro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 5-fluoro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(tetrazol-1-yl)benzamide is O=C(Nc1nnc(C2CCCO2)s1)c1cc(F)ccc1-n1cnnn1.
What is the InChIKey of 5-fluoro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is VKVGPGSHLAQMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN7O2S/c15-8-3-4-10(22-7-16-20-21-22)9(6-8)12(23)17-14-19-18-13(25-14)11-2-1-5-24-11/h3-4,6-7,11H,1-2,5H2,(H,17,19,23).
What are the key properties of 5-fluoro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(tetrazol-1-yl)benzamide?
5-fluoro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 361.36 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 51054659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).