2,6-difluoro-N-(thiadiazol-4-ylmethyl)aniline

C9H7F2N3S — CID 43664102

IUPAC2,6-difluoro-N-(thiadiazol-4-ylmethyl)aniline
SMILESFc1cccc(F)c1NCc1csnn1
InChIInChI=1S/C9H7F2N3S/c10-7-2-1-3-8(11)9(7)12-4-6-5-15-14-13-6/h1-3,5,12H,4H2
InChIKeyJWVWZXPSXUWRBM-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.43
Rot. Bonds3

About 2,6-difluoro-N-(thiadiazol-4-ylmethyl)aniline

2,6-difluoro-N-(thiadiazol-4-ylmethyl)aniline (PubChem CID 43664102) has the molecular formula C9H7F2N3S and a molecular weight of 227.24 g/mol. Its IUPAC name is 2,6-difluoro-N-(thiadiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name2,6-difluoro-N-(thiadiazol-4-ylmethyl)aniline
PubChem CID43664102
Molecular FormulaC9H7F2N3S
Molecular Weight227.24 g/mol
Exact Mass227.03
IUPAC Name2,6-difluoro-N-(thiadiazol-4-ylmethyl)aniline
SMILESFc1cccc(F)c1NCc1csnn1
InChIInChI=1S/C9H7F2N3S/c10-7-2-1-3-8(11)9(7)12-4-6-5-15-14-13-6/h1-3,5,12H,4H2
InChIKeyJWVWZXPSXUWRBM-UHFFFAOYSA-N
XLogP2.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-3-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 115904338
2-chloro-6-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 66251310
2-chloro-N-(thiadiazol-4-ylmethyl)aniline
CID 43663914
2-chloro-5-fluoro-N-(thiadiazol-4-ylmethyl)aniline
CID 107527302
2,5-dichloro-N-(thiadiazol-4-ylmethyl)aniline
CID 43663808
4-fluoro-3-nitro-N-(thiadiazol-4-ylmethyl)aniline
CID 43719364
N-(thiadiazol-4-ylmethyl)-1H-indazol-4-amine
CID 60931620
2-(thiadiazol-4-ylmethylamino)benzonitrile
CID 43663908
5-chloro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline
CID 43663783
2-bromo-5-chloro-N-(thiadiazol-4-ylmethyl)aniline
CID 81270374
3,4-dimethyl-N-(thiadiazol-4-ylmethyl)aniline
CID 43663904
2-phenyl-N-(thiadiazol-4-ylmethyl)propan-2-amine
CID 115905021

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(thiadiazol-4-ylmethyl)aniline?
The IUPAC name of 2,6-difluoro-N-(thiadiazol-4-ylmethyl)aniline (CID 43664102) is 2,6-difluoro-N-(thiadiazol-4-ylmethyl)aniline.
What is the SMILES notation for 2,6-difluoro-N-(thiadiazol-4-ylmethyl)aniline?
The canonical SMILES for 2,6-difluoro-N-(thiadiazol-4-ylmethyl)aniline is Fc1cccc(F)c1NCc1csnn1.
What is the InChIKey of 2,6-difluoro-N-(thiadiazol-4-ylmethyl)aniline?
The InChIKey is JWVWZXPSXUWRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3S/c10-7-2-1-3-8(11)9(7)12-4-6-5-15-14-13-6/h1-3,5,12H,4H2.
What are the key properties of 2,6-difluoro-N-(thiadiazol-4-ylmethyl)aniline?
2,6-difluoro-N-(thiadiazol-4-ylmethyl)aniline has a molecular weight of 227.24 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(thiadiazol-4-ylmethyl)aniline is sourced from PubChem (CID 43664102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).