2-fluoro-3-methyl-N-(thiadiazol-4-ylmethyl)aniline

C10H10FN3S — CID 115904338

IUPAC2-fluoro-3-methyl-N-(thiadiazol-4-ylmethyl)aniline
SMILESCc1cccc(NCc2csnn2)c1F
InChIInChI=1S/C10H10FN3S/c1-7-3-2-4-9(10(7)11)12-5-8-6-15-14-13-8/h2-4,6,12H,5H2,1H3
InChIKeyGBYBVTSUNJOUGV-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.60
Rot. Bonds3

About 2-fluoro-3-methyl-N-(thiadiazol-4-ylmethyl)aniline

2-fluoro-3-methyl-N-(thiadiazol-4-ylmethyl)aniline (PubChem CID 115904338) has the molecular formula C10H10FN3S and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-(thiadiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-(thiadiazol-4-ylmethyl)aniline
PubChem CID115904338
Molecular FormulaC10H10FN3S
Molecular Weight223.28 g/mol
Exact Mass223.06
IUPAC Name2-fluoro-3-methyl-N-(thiadiazol-4-ylmethyl)aniline
SMILESCc1cccc(NCc2csnn2)c1F
InChIInChI=1S/C10H10FN3S/c1-7-3-2-4-9(10(7)11)12-5-8-6-15-14-13-8/h2-4,6,12H,5H2,1H3
InChIKeyGBYBVTSUNJOUGV-UHFFFAOYSA-N
XLogP2.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 66251310
2,6-difluoro-N-(thiadiazol-4-ylmethyl)aniline
CID 43664102
2-chloro-N-(thiadiazol-4-ylmethyl)aniline
CID 43663914
5-chloro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 43663783
2-methyl-N-(thiadiazol-4-ylmethyl)-5-(trifluoromethyl)aniline
CID 66478947
N-(thiadiazol-4-ylmethyl)-1H-indazol-7-amine
CID 43731041
2-[(dimethylamino)methyl]-N-(thiadiazol-4-ylmethyl)aniline
CID 43750220
2-(thiadiazol-4-ylmethylamino)benzonitrile
CID 43663908
N-(thiadiazol-4-ylmethyl)-1H-indazol-4-amine
CID 60931620
3,4-dimethyl-N-(thiadiazol-4-ylmethyl)aniline
CID 43663904
2-chloro-5-fluoro-N-(thiadiazol-4-ylmethyl)aniline
CID 107527302
2-(diethylaminomethyl)-N-(thiadiazol-4-ylmethyl)aniline
CID 43729358

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-(thiadiazol-4-ylmethyl)aniline?
The IUPAC name of 2-fluoro-3-methyl-N-(thiadiazol-4-ylmethyl)aniline (CID 115904338) is 2-fluoro-3-methyl-N-(thiadiazol-4-ylmethyl)aniline.
What is the SMILES notation for 2-fluoro-3-methyl-N-(thiadiazol-4-ylmethyl)aniline?
The canonical SMILES for 2-fluoro-3-methyl-N-(thiadiazol-4-ylmethyl)aniline is Cc1cccc(NCc2csnn2)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-(thiadiazol-4-ylmethyl)aniline?
The InChIKey is GBYBVTSUNJOUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S/c1-7-3-2-4-9(10(7)11)12-5-8-6-15-14-13-8/h2-4,6,12H,5H2,1H3.
What are the key properties of 2-fluoro-3-methyl-N-(thiadiazol-4-ylmethyl)aniline?
2-fluoro-3-methyl-N-(thiadiazol-4-ylmethyl)aniline has a molecular weight of 223.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-(thiadiazol-4-ylmethyl)aniline is sourced from PubChem (CID 115904338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).