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

C10H10FN3S — CID 43663925

IUPAC5-fluoro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline
SMILESCc1ccc(F)cc1NCc1csnn1
InChIInChI=1S/C10H10FN3S/c1-7-2-3-8(11)4-10(7)12-5-9-6-15-14-13-9/h2-4,6,12H,5H2,1H3
InChIKeyDJWRTOIPVMYDBC-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.60
Rot. Bonds3

About 5-fluoro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline

5-fluoro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline (PubChem CID 43663925) has the molecular formula C10H10FN3S and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline
PubChem CID43663925
Molecular FormulaC10H10FN3S
Molecular Weight223.28 g/mol
Exact Mass223.06
IUPAC Name5-fluoro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline
SMILESCc1ccc(F)cc1NCc1csnn1
InChIInChI=1S/C10H10FN3S/c1-7-2-3-8(11)4-10(7)12-5-9-6-15-14-13-9/h2-4,6,12H,5H2,1H3
InChIKeyDJWRTOIPVMYDBC-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

N-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]-4-(trifluoromethyl)aniline
CID 1483132
N-[(5-chlorothiadiazol-4-yl)methyl]-4-fluoro-2-(methylsulfonylmethyl)aniline
CID 75380218
N'-methyl-N'-phenyl-N-(thiadiazol-4-ylmethyl)propane-1,3-diamine
CID 43663847
4-(difluoromethyl)-N-(4-fluoro-2-methylphenyl)thiadiazole-5-carbothioamide
CID 142383508
4-fluoro-N-methyl-2-(thiadiazol-4-yl)aniline
CID 174509471
5-methyl-N-(4-methylphenyl)-1,2,3-thiadiazole-4-carbothioamide
CID 129743671
2-(4-fluorophenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663827
N-(thiadiazol-4-ylmethyl)-2-(trifluoromethyl)aniline
CID 43663831
N-(thiadiazol-4-ylmethyl)-3-(trifluoromethyl)aniline
CID 43663832
N-(thiadiazol-4-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 43663850
2,3,4-trifluoro-N-(thiadiazol-4-ylmethyl)aniline
CID 43663856
2,5-difluoro-N-[(1,2,3-thiadiazol-4-yl)methyl]aniline
CID 43663857

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline?
The IUPAC name of 5-fluoro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline (CID 43663925) is 5-fluoro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline.
What is the SMILES notation for 5-fluoro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline?
The canonical SMILES for 5-fluoro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline is Cc1ccc(F)cc1NCc1csnn1.
What is the InChIKey of 5-fluoro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline?
The InChIKey is DJWRTOIPVMYDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S/c1-7-2-3-8(11)4-10(7)12-5-9-6-15-14-13-9/h2-4,6,12H,5H2,1H3.
What are the key properties of 5-fluoro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline?
5-fluoro-2-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 5-fluoro-2-methyl-N-(thiadiazol-4-ylmethyl)aniline is sourced from PubChem (CID 43663925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).