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

C10H10FN3S — CID 126782843

IUPAC3-fluoro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]aniline
SMILESCc1nnc(CNc2cccc(F)c2)s1
InChIInChI=1S/C10H10FN3S/c1-7-13-14-10(15-7)6-12-9-4-2-3-8(11)5-9/h2-5,12H,6H2,1H3
InChIKeyOCGNCGJVGCPNNN-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.60
Rot. Bonds3

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

3-fluoro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]aniline (PubChem CID 126782843) has the molecular formula C10H10FN3S and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-fluoro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]aniline
PubChem CID126782843
Molecular FormulaC10H10FN3S
Molecular Weight223.28 g/mol
Exact Mass223.06
IUPAC Name3-fluoro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]aniline
SMILESCc1nnc(CNc2cccc(F)c2)s1
InChIInChI=1S/C10H10FN3S/c1-7-13-14-10(15-7)6-12-9-4-2-3-8(11)5-9/h2-5,12H,6H2,1H3
InChIKeyOCGNCGJVGCPNNN-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

3-fluoro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]aniline
CID 126782089
1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]urea
CID 110874593
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-fluoro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]aniline
CID 167796792
N-(2,2-difluoroethyl)-3-fluoroaniline
CID 60922269
2-bromo-6-tert-butyl-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]aniline
CID 23462229
2-[(3-fluoroanilino)methyl]phenol
CID 27267422
2-[(3-fluoroanilino)methyl]-4-methylphenol
CID 63323256
5-[(4-fluoroanilino)methyl]-N-phenyl-1,3,4-thiadiazol-2-amine
CID 11289585
5-[(3-fluoroanilino)methyl]-2-methylpyrimidin-4-amine
CID 155559046
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-fluoroaniline
CID 115584977
2-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 56901808
5-[(3-fluoroanilino)methyl]thiophene-2-carbonitrile
CID 115742853

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]aniline?
The IUPAC name of 3-fluoro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]aniline (CID 126782843) is 3-fluoro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]aniline.
What is the SMILES notation for 3-fluoro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]aniline?
The canonical SMILES for 3-fluoro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]aniline is Cc1nnc(CNc2cccc(F)c2)s1.
What is the InChIKey of 3-fluoro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]aniline?
The InChIKey is OCGNCGJVGCPNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S/c1-7-13-14-10(15-7)6-12-9-4-2-3-8(11)5-9/h2-5,12H,6H2,1H3.
What are the key properties of 3-fluoro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]aniline?
3-fluoro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]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 3-fluoro-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]aniline is sourced from PubChem (CID 126782843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).