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

C11H14N4S — CID 65209484

IUPACN-[3-(aminomethyl)phenyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(N(C)c2cccc(CN)c2)s1
InChIInChI=1S/C11H14N4S/c1-8-13-14-11(16-8)15(2)10-5-3-4-9(6-10)7-12/h3-6H,7,12H2,1-2H3
InChIKeyOVIZKEDTHBPSEK-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.07
Rot. Bonds3

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

N-[3-(aminomethyl)phenyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 65209484) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID65209484
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC NameN-[3-(aminomethyl)phenyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(N(C)c2cccc(CN)c2)s1
InChIInChI=1S/C11H14N4S/c1-8-13-14-11(16-8)15(2)10-5-3-4-9(6-10)7-12/h3-6H,7,12H2,1-2H3
InChIKeyOVIZKEDTHBPSEK-UHFFFAOYSA-N
XLogP2.07
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[3-(aminomethyl)phenyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine (CID 65209484) is N-[3-(aminomethyl)phenyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine is Cc1nnc(N(C)c2cccc(CN)c2)s1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is OVIZKEDTHBPSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-8-13-14-11(16-8)15(2)10-5-3-4-9(6-10)7-12/h3-6H,7,12H2,1-2H3.
What are the key properties of N-[3-(aminomethyl)phenyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine?
N-[3-(aminomethyl)phenyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 234.33 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-N,5-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 65209484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).