N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide

C16H16FN7OS — CID 51053036

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1nnc(C2CCCCC2)s1)c1cc(F)ccc1-n1cnnn1
InChIInChI=1S/C16H16FN7OS/c17-11-6-7-13(24-9-18-22-23-24)12(8-11)14(25)19-16-21-20-15(26-16)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,19,21,25)
InChIKeyZBXZKXROKGLXFT-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.95
Rot. Bonds4

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

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide (PubChem CID 51053036) has the molecular formula C16H16FN7OS and a molecular weight of 373.42 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide
PubChem CID51053036
Molecular FormulaC16H16FN7OS
Molecular Weight373.42 g/mol
Exact Mass373.11
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide
SMILESO=C(Nc1nnc(C2CCCCC2)s1)c1cc(F)ccc1-n1cnnn1
InChIInChI=1S/C16H16FN7OS/c17-11-6-7-13(24-9-18-22-23-24)12(8-11)14(25)19-16-21-20-15(26-16)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,19,21,25)
InChIKeyZBXZKXROKGLXFT-UHFFFAOYSA-N
XLogP2.95
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide (CID 51053036) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide is O=C(Nc1nnc(C2CCCCC2)s1)c1cc(F)ccc1-n1cnnn1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide?
The InChIKey is ZBXZKXROKGLXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN7OS/c17-11-6-7-13(24-9-18-22-23-24)12(8-11)14(25)19-16-21-20-15(26-16)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,19,21,25).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide has a molecular weight of 373.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 51053036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).