[5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine

C12H11FN6S — CID 82221388

IUPAC[5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine
SMILESCc1nnc(-n2nnc(CN)c2-c2ccccc2F)s1
InChIInChI=1S/C12H11FN6S/c1-7-15-17-12(20-7)19-11(10(6-14)16-18-19)8-4-2-3-5-9(8)13/h2-5H,6,14H2,1H3
InChIKeyCUFBBCBJSMSVRM-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.69
Rot. Bonds3

About [5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine

[5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine (PubChem CID 82221388) has the molecular formula C12H11FN6S and a molecular weight of 290.33 g/mol. Its IUPAC name is [5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine
PubChem CID82221388
Molecular FormulaC12H11FN6S
Molecular Weight290.33 g/mol
Exact Mass290.07
IUPAC Name[5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine
SMILESCc1nnc(-n2nnc(CN)c2-c2ccccc2F)s1
InChIInChI=1S/C12H11FN6S/c1-7-15-17-12(20-7)19-11(10(6-14)16-18-19)8-4-2-3-5-9(8)13/h2-5H,6,14H2,1H3
InChIKeyCUFBBCBJSMSVRM-UHFFFAOYSA-N
XLogP1.69
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(3,4-difluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine
CID 94962757
[1,5-bis(2-fluorophenyl)triazol-4-yl]methanamine
CID 82196565
[5-(2-fluorophenyl)-1-phenyltriazol-4-yl]methanamine
CID 82200276
5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxylic acid
CID 82221246
[5-(2-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203281
[1-butyl-5-(2-fluorophenyl)triazol-4-yl]methanamine
CID 82205505
[5-(2-methylphenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 82220928
[5-(2-fluorophenyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanol
CID 82220821
[5-(2-fluorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanamine
CID 82208417
[5-(2-fluorophenyl)-1-(2-methylprop-2-enyl)triazol-4-yl]methanamine
CID 82210868
[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(trichloromethyl)triazol-4-yl]methanamine
CID 94962754
[1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-propyltriazol-4-yl]methanamine
CID 82221373

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine?
The IUPAC name of [5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine (CID 82221388) is [5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine.
What is the SMILES notation for [5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine?
The canonical SMILES for [5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine is Cc1nnc(-n2nnc(CN)c2-c2ccccc2F)s1.
What is the InChIKey of [5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine?
The InChIKey is CUFBBCBJSMSVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN6S/c1-7-15-17-12(20-7)19-11(10(6-14)16-18-19)8-4-2-3-5-9(8)13/h2-5H,6,14H2,1H3.
What are the key properties of [5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine?
[5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine has a molecular weight of 290.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluorophenyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)triazol-4-yl]methanamine is sourced from PubChem (CID 82221388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).