N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-thiadiazol-5-amine

C11H14N4S — CID 65270237

IUPACN-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCN(Cc1ccc(CN)cc1)c1ncns1
InChIInChI=1S/C11H14N4S/c1-15(11-13-8-14-16-11)7-10-4-2-9(6-12)3-5-10/h2-5,8H,6-7,12H2,1H3
InChIKeyKQAZZYMIJCLVSZ-UHFFFAOYSA-N
MW234.33 g/mol
LogP1.63
Rot. Bonds4

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

N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 65270237) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID65270237
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCN(Cc1ccc(CN)cc1)c1ncns1
InChIInChI=1S/C11H14N4S/c1-15(11-13-8-14-16-11)7-10-4-2-9(6-12)3-5-10/h2-5,8H,6-7,12H2,1H3
InChIKeyKQAZZYMIJCLVSZ-UHFFFAOYSA-N
XLogP1.63
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-thiadiazol-5-amine (CID 65270237) is N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-thiadiazol-5-amine is CN(Cc1ccc(CN)cc1)c1ncns1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is KQAZZYMIJCLVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-15(11-13-8-14-16-11)7-10-4-2-9(6-12)3-5-10/h2-5,8H,6-7,12H2,1H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-thiadiazol-5-amine?
N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 234.33 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65270237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).