5-[(4-fluoroanilino)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine

C15H13FN4S — CID 11289585

IUPAC5-[(4-fluoroanilino)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(NCc2nnc(Nc3ccccc3)s2)cc1
InChIInChI=1S/C15H13FN4S/c16-11-6-8-12(9-7-11)17-10-14-19-20-15(21-14)18-13-4-2-1-3-5-13/h1-9,17H,10H2,(H,18,20)
InChIKeyXHANGKBWNHRVPD-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.03
Rot. Bonds5

About 5-[(4-fluoroanilino)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine

5-[(4-fluoroanilino)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine (PubChem CID 11289585) has the molecular formula C15H13FN4S and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-[(4-fluoroanilino)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(4-fluoroanilino)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine
PubChem CID11289585
Molecular FormulaC15H13FN4S
Molecular Weight300.36 g/mol
Exact Mass300.08
IUPAC Name5-[(4-fluoroanilino)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine
SMILESFc1ccc(NCc2nnc(Nc3ccccc3)s2)cc1
InChIInChI=1S/C15H13FN4S/c16-11-6-8-12(9-7-11)17-10-14-19-20-15(21-14)18-13-4-2-1-3-5-13/h1-9,17H,10H2,(H,18,20)
InChIKeyXHANGKBWNHRVPD-UHFFFAOYSA-N
XLogP4.03
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 71574591
3-fluoro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]aniline
CID 126782843
5-[[2-(4-chlorophenyl)benzimidazol-1-yl]methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine
CID 6480653
N-(4-fluorophenyl)-5-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 156770995
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
5-[di(propan-2-yloxy)phosphorylmethyl]-N-phenyl-1,3,4-thiadiazol-2-amine
CID 139600034
N-[(6,7-difluoro-1,3-benzothiazol-2-yl)methyl]-4-fluoroaniline
CID 19439539
(2S)-2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(4-fluorophenyl)acetamide
CID 42144517
5-(3,4-difluorophenyl)-N-phenyl-1,3,4-thiadiazol-2-amine
CID 23878745
N-[(5-iodo-1,3-thiazol-2-yl)methyl]aniline
CID 130541161
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzamide
CID 741030
2-anilino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
CID 103607106

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoroanilino)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(4-fluoroanilino)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine (CID 11289585) is 5-[(4-fluoroanilino)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(4-fluoroanilino)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(4-fluoroanilino)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine is Fc1ccc(NCc2nnc(Nc3ccccc3)s2)cc1.
What is the InChIKey of 5-[(4-fluoroanilino)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine?
The InChIKey is XHANGKBWNHRVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4S/c16-11-6-8-12(9-7-11)17-10-14-19-20-15(21-14)18-13-4-2-1-3-5-13/h1-9,17H,10H2,(H,18,20).
What are the key properties of 5-[(4-fluoroanilino)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine?
5-[(4-fluoroanilino)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine has a molecular weight of 300.36 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluoroanilino)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 11289585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).