4-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]aniline

C10H10FN3S2 — CID 60877509

IUPAC4-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]aniline
SMILESCc1nnc(SCc2cc(F)ccc2N)s1
InChIInChI=1S/C10H10FN3S2/c1-6-13-14-10(16-6)15-5-7-4-8(11)2-3-9(7)12/h2-4H,5,12H2,1H3
InChIKeyADTSNHDFQOXUKP-UHFFFAOYSA-N
MW255.34 g/mol
LogP2.86
Rot. Bonds3

About 4-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]aniline

4-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]aniline (PubChem CID 60877509) has the molecular formula C10H10FN3S2 and a molecular weight of 255.34 g/mol. Its IUPAC name is 4-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]aniline
PubChem CID60877509
Molecular FormulaC10H10FN3S2
Molecular Weight255.34 g/mol
Exact Mass255.03
IUPAC Name4-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]aniline
SMILESCc1nnc(SCc2cc(F)ccc2N)s1
InChIInChI=1S/C10H10FN3S2/c1-6-13-14-10(16-6)15-5-7-4-8(11)2-3-9(7)12/h2-4H,5,12H2,1H3
InChIKeyADTSNHDFQOXUKP-UHFFFAOYSA-N
XLogP2.86
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]aniline
CID 47003119
2-Methyl-5-[(2-nitrobenzyl)thio]-1,3,4-thiadiazole
CID 736925
2-(5-Methyl-1,3,4-thiadiazol-2-yl)aniline
CID 13107853
N-(5-fluoro-2-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 3404377
2-(4,4-Difluorobut-3-enylsulfanyl)-5-[4-(sulfinatoamino)phenyl]-1,3,4-thiadiazole
CID 57218980
2-(4,4-Difluorobut-3-enylsulfanyl)-5-[2-(sulfonylamino)phenyl]-1,3,4-thiadiazole
CID 140974497
5-[5-[(1S,2S)-2-fluorocyclopropyl]-1,3,4-thiadiazol-2-yl]-2-methylaniline
CID 176617360
3-(5-Methyl-1,3,4-thiadiazol-2-yl)aniline
CID 16763184
2-(4-Aminophenyl)-5-(2-butyldisulfanyl)-1,3,4-thiadiazole
CID 138454430
N-(4-fluoro-2-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 4000820
N-(3-fluoro-2-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 17186518
4-Fluoro-2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)aniline
CID 43443957

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]aniline?
The IUPAC name of 4-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]aniline (CID 60877509) is 4-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]aniline.
What is the SMILES notation for 4-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]aniline?
The canonical SMILES for 4-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]aniline is Cc1nnc(SCc2cc(F)ccc2N)s1.
What is the InChIKey of 4-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]aniline?
The InChIKey is ADTSNHDFQOXUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S2/c1-6-13-14-10(16-6)15-5-7-4-8(11)2-3-9(7)12/h2-4H,5,12H2,1H3.
What are the key properties of 4-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]aniline?
4-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]aniline has a molecular weight of 255.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]aniline is sourced from PubChem (CID 60877509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).