3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]benzamide

C19H19FN4OS — CID 70975178

IUPAC3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]benzamide
SMILESCC(C)(CNc1nc(-c2cccc(C(N)=O)c2)ns1)c1ccc(F)cc1
InChIInChI=1S/C19H19FN4OS/c1-19(2,14-6-8-15(20)9-7-14)11-22-18-23-17(24-26-18)13-5-3-4-12(10-13)16(21)25/h3-10H,11H2,1-2H3,(H2,21,25)(H,22,23,24)
InChIKeyFXRFGEZCTYEQLQ-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.83
Rot. Bonds6

About 3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]benzamide

3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]benzamide (PubChem CID 70975178) has the molecular formula C19H19FN4OS and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]benzamide.

Molecular Properties

Compound Name3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]benzamide
PubChem CID70975178
Molecular FormulaC19H19FN4OS
Molecular Weight370.45 g/mol
Exact Mass370.13
IUPAC Name3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]benzamide
SMILESCC(C)(CNc1nc(-c2cccc(C(N)=O)c2)ns1)c1ccc(F)cc1
InChIInChI=1S/C19H19FN4OS/c1-19(2,14-6-8-15(20)9-7-14)11-22-18-23-17(24-26-18)13-5-3-4-12(10-13)16(21)25/h3-10H,11H2,1-2H3,(H2,21,25)(H,22,23,24)
InChIKeyFXRFGEZCTYEQLQ-UHFFFAOYSA-N
XLogP3.83
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]benzamide?
The IUPAC name of 3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]benzamide (CID 70975178) is 3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]benzamide.
What is the SMILES notation for 3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]benzamide?
The canonical SMILES for 3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]benzamide is CC(C)(CNc1nc(-c2cccc(C(N)=O)c2)ns1)c1ccc(F)cc1.
What is the InChIKey of 3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]benzamide?
The InChIKey is FXRFGEZCTYEQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4OS/c1-19(2,14-6-8-15(20)9-7-14)11-22-18-23-17(24-26-18)13-5-3-4-12(10-13)16(21)25/h3-10H,11H2,1-2H3,(H2,21,25)(H,22,23,24).
What are the key properties of 3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]benzamide?
3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]benzamide has a molecular weight of 370.45 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-1,2,4-thiadiazol-3-yl]benzamide is sourced from PubChem (CID 70975178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).