N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-ethyl-1,2,4-thiadiazol-5-amine

C12H15FN4S — CID 65272429

IUPACN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCc2ccc(CN)cc2F)n1
InChIInChI=1S/C12H15FN4S/c1-2-11-16-12(18-17-11)15-7-9-4-3-8(6-14)5-10(9)13/h3-5H,2,6-7,14H2,1H3,(H,15,16,17)
InChIKeyAQSABIBWAABOMK-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.31
Rot. Bonds5

About N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-ethyl-1,2,4-thiadiazol-5-amine

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 65272429) has the molecular formula C12H15FN4S and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID65272429
Molecular FormulaC12H15FN4S
Molecular Weight266.34 g/mol
Exact Mass266.10
IUPAC NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NCc2ccc(CN)cc2F)n1
InChIInChI=1S/C12H15FN4S/c1-2-11-16-12(18-17-11)15-7-9-4-3-8(6-14)5-10(9)13/h3-5H,2,6-7,14H2,1H3,(H,15,16,17)
InChIKeyAQSABIBWAABOMK-UHFFFAOYSA-N
XLogP2.31
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-ethyl-1,2,4-thiadiazol-5-amine (CID 65272429) is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-ethyl-1,2,4-thiadiazol-5-amine is CCc1nsc(NCc2ccc(CN)cc2F)n1.
What is the InChIKey of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is AQSABIBWAABOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4S/c1-2-11-16-12(18-17-11)15-7-9-4-3-8(6-14)5-10(9)13/h3-5H,2,6-7,14H2,1H3,(H,15,16,17).
What are the key properties of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-ethyl-1,2,4-thiadiazol-5-amine?
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 266.34 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65272429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).