[4-(4-fluoro-3-methylphenyl)thiadiazol-5-yl]methanamine

C10H10FN3S — CID 82391992

IUPAC[4-(4-fluoro-3-methylphenyl)thiadiazol-5-yl]methanamine
SMILESCc1cc(-c2nnsc2CN)ccc1F
InChIInChI=1S/C10H10FN3S/c1-6-4-7(2-3-8(6)11)10-9(5-12)15-14-13-10/h2-4H,5,12H2,1H3
InChIKeyWRXRDPYMCMBAPS-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.11
Rot. Bonds2

About [4-(4-fluoro-3-methylphenyl)thiadiazol-5-yl]methanamine

[4-(4-fluoro-3-methylphenyl)thiadiazol-5-yl]methanamine (PubChem CID 82391992) has the molecular formula C10H10FN3S and a molecular weight of 223.28 g/mol. Its IUPAC name is [4-(4-fluoro-3-methylphenyl)thiadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(4-fluoro-3-methylphenyl)thiadiazol-5-yl]methanamine
PubChem CID82391992
Molecular FormulaC10H10FN3S
Molecular Weight223.28 g/mol
Exact Mass223.06
IUPAC Name[4-(4-fluoro-3-methylphenyl)thiadiazol-5-yl]methanamine
SMILESCc1cc(-c2nnsc2CN)ccc1F
InChIInChI=1S/C10H10FN3S/c1-6-4-7(2-3-8(6)11)10-9(5-12)15-14-13-10/h2-4H,5,12H2,1H3
InChIKeyWRXRDPYMCMBAPS-UHFFFAOYSA-N
XLogP2.11
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methylphenyl)thiadiazol-5-yl]ethanamine
CID 96608949
2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]ethanamine
CID 39353020
N-[[4-(3,4-difluorophenyl)thiadiazol-5-yl]methyl]ethanamine
CID 65209284
[3-(4-fluoro-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
CID 82371436
2-[4-(4-fluoro-3-methylphenyl)-1,3-oxazol-5-yl]ethanamine
CID 82127608
2-[4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-oxazol-5-yl]ethanamine
CID 82129199
[2-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]methanamine
CID 54911715
N-[[4-(3,4-dimethylphenyl)thiadiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 65208956
4-(4-fluoro-3-methylphenyl)-2-propyl-1,3-thiazol-5-amine
CID 62122450
5-(chloromethyl)-4-(4-fluoro-3-methylphenyl)-2-methyl-1,3-thiazole
CID 28710048
2-[3-(4-fluoro-3-methylphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]ethanamine
CID 94698961
2-[4-(4-fluoro-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
CID 82045060

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluoro-3-methylphenyl)thiadiazol-5-yl]methanamine?
The IUPAC name of [4-(4-fluoro-3-methylphenyl)thiadiazol-5-yl]methanamine (CID 82391992) is [4-(4-fluoro-3-methylphenyl)thiadiazol-5-yl]methanamine.
What is the SMILES notation for [4-(4-fluoro-3-methylphenyl)thiadiazol-5-yl]methanamine?
The canonical SMILES for [4-(4-fluoro-3-methylphenyl)thiadiazol-5-yl]methanamine is Cc1cc(-c2nnsc2CN)ccc1F.
What is the InChIKey of [4-(4-fluoro-3-methylphenyl)thiadiazol-5-yl]methanamine?
The InChIKey is WRXRDPYMCMBAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3S/c1-6-4-7(2-3-8(6)11)10-9(5-12)15-14-13-10/h2-4H,5,12H2,1H3.
What are the key properties of [4-(4-fluoro-3-methylphenyl)thiadiazol-5-yl]methanamine?
[4-(4-fluoro-3-methylphenyl)thiadiazol-5-yl]methanamine has a molecular weight of 223.28 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluoro-3-methylphenyl)thiadiazol-5-yl]methanamine is sourced from PubChem (CID 82391992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).