4-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide

C14H14FN3O2S — CID 100749423

IUPAC4-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1snnc1-c1ccc(F)cc1
InChIInChI=1S/C14H14FN3O2S/c15-10-5-3-9(4-6-10)12-13(21-18-17-12)14(19)16-8-11-2-1-7-20-11/h3-6,11H,1-2,7-8H2,(H,16,19)/t11-/m1/s1
InChIKeyGZHCTOFJMMLVNE-LLVKDONJSA-N
MW307.35 g/mol
LogP2.25
Rot. Bonds4

About 4-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide

4-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide (PubChem CID 100749423) has the molecular formula C14H14FN3O2S and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide
PubChem CID100749423
Molecular FormulaC14H14FN3O2S
Molecular Weight307.35 g/mol
Exact Mass307.08
IUPAC Name4-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1snnc1-c1ccc(F)cc1
InChIInChI=1S/C14H14FN3O2S/c15-10-5-3-9(4-6-10)12-13(21-18-17-12)14(19)16-8-11-2-1-7-20-11/h3-6,11H,1-2,7-8H2,(H,16,19)/t11-/m1/s1
InChIKeyGZHCTOFJMMLVNE-LLVKDONJSA-N
XLogP2.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide
CID 51718226
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
5-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 99599447
5-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 127266585
3-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 40649827
6-(4-fluorophenyl)-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 95554649
6-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115068
3-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51854999
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
2-[2-(4-fluorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252355
5-fluoro-2-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95155012
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide (CID 100749423) is 4-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide is O=C(NC[C@H]1CCCO1)c1snnc1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide?
The InChIKey is GZHCTOFJMMLVNE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H14FN3O2S/c15-10-5-3-9(4-6-10)12-13(21-18-17-12)14(19)16-8-11-2-1-7-20-11/h3-6,11H,1-2,7-8H2,(H,16,19)/t11-/m1/s1.
What are the key properties of 4-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide?
4-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 100749423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).