N-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine

C12H14N4S — CID 65277944

IUPACN-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESNCc1cccc(Nc2nc(C3CC3)ns2)c1
InChIInChI=1S/C12H14N4S/c13-7-8-2-1-3-10(6-8)14-12-15-11(16-17-12)9-4-5-9/h1-3,6,9H,4-5,7,13H2,(H,14,15,16)
InChIKeyVZYAAPDEYVVZIA-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.62
Rot. Bonds4

About N-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine

N-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine (PubChem CID 65277944) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
PubChem CID65277944
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC NameN-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESNCc1cccc(Nc2nc(C3CC3)ns2)c1
InChIInChI=1S/C12H14N4S/c13-7-8-2-1-3-10(6-8)14-12-15-11(16-17-12)9-4-5-9/h1-3,6,9H,4-5,7,13H2,(H,14,15,16)
InChIKeyVZYAAPDEYVVZIA-UHFFFAOYSA-N
XLogP2.62
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine (CID 65277944) is N-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine is NCc1cccc(Nc2nc(C3CC3)ns2)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The InChIKey is VZYAAPDEYVVZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c13-7-8-2-1-3-10(6-8)14-12-15-11(16-17-12)9-4-5-9/h1-3,6,9H,4-5,7,13H2,(H,14,15,16).
What are the key properties of N-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
N-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine has a molecular weight of 246.34 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65277944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).