N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine

C11H14N4S — CID 106754424

IUPACN-methyl-2-[5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCNCCc1nnc(-c2ccnc(C)c2)s1
InChIInChI=1S/C11H14N4S/c1-8-7-9(3-6-13-8)11-15-14-10(16-11)4-5-12-2/h3,6-7,12H,4-5H2,1-2H3
InChIKeyDKJCBOINKYJSJF-UHFFFAOYSA-N
MW234.33 g/mol
LogP1.67
Rot. Bonds4

About N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine

N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine (PubChem CID 106754424) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine
PubChem CID106754424
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC NameN-methyl-2-[5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine
SMILESCNCCc1nnc(-c2ccnc(C)c2)s1
InChIInChI=1S/C11H14N4S/c1-8-7-9(3-6-13-8)11-15-14-10(16-11)4-5-12-2/h3,6-7,12H,4-5H2,1-2H3
InChIKeyDKJCBOINKYJSJF-UHFFFAOYSA-N
XLogP1.67
TPSA50.70 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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(chloromethyl)-5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazole
CID 106754395
2-[5-(2,6-difluoro-3-methylphenyl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine
CID 82818703
2-[5-(3-chloro-4-methylthiophen-2-yl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine
CID 103406787
N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 106754029
2-[5-(2-bromo-4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine
CID 114025393
N-ethyl-2-[5-(5-methylfuran-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 114823828
4-[5-(methylaminomethyl)-1,3,4-thiadiazol-2-yl]benzene-1,2-diol
CID 136885725
(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazol-2-yl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 46229316
N-methyl-2-[5-[(3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]ethanamine
CID 112519497
2-[5-(3-bromo-4-methylphenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 81488182
2-propyl-5-[6-(5-propyl-1,3,4-thiadiazol-2-yl)naphthalen-2-yl]-1,3,4-thiadiazole
CID 58037272
1-[5-(5-bromothiophen-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 107966948

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The IUPAC name of N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine (CID 106754424) is N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The canonical SMILES for N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine is CNCCc1nnc(-c2ccnc(C)c2)s1.
What is the InChIKey of N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine?
The InChIKey is DKJCBOINKYJSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-8-7-9(3-6-13-8)11-15-14-10(16-11)4-5-12-2/h3,6-7,12H,4-5H2,1-2H3.
What are the key properties of N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine?
N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine has a molecular weight of 234.33 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazol-2-yl]ethanamine is sourced from PubChem (CID 106754424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).