1-(4-ethylthiadiazol-5-yl)-N-methyl-2-pyridin-2-ylethanamine

C12H16N4S — CID 105157988

IUPAC1-(4-ethylthiadiazol-5-yl)-N-methyl-2-pyridin-2-ylethanamine
SMILESCCc1nnsc1C(Cc1ccccn1)NC
InChIInChI=1S/C12H16N4S/c1-3-10-12(17-16-15-10)11(13-2)8-9-6-4-5-7-14-9/h4-7,11,13H,3,8H2,1-2H3
InChIKeyKDNIKEBXQLMYQP-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.00
Rot. Bonds5

About 1-(4-ethylthiadiazol-5-yl)-N-methyl-2-pyridin-2-ylethanamine

1-(4-ethylthiadiazol-5-yl)-N-methyl-2-pyridin-2-ylethanamine (PubChem CID 105157988) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-(4-ethylthiadiazol-5-yl)-N-methyl-2-pyridin-2-ylethanamine.

Molecular Properties

Compound Name1-(4-ethylthiadiazol-5-yl)-N-methyl-2-pyridin-2-ylethanamine
PubChem CID105157988
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name1-(4-ethylthiadiazol-5-yl)-N-methyl-2-pyridin-2-ylethanamine
SMILESCCc1nnsc1C(Cc1ccccn1)NC
InChIInChI=1S/C12H16N4S/c1-3-10-12(17-16-15-10)11(13-2)8-9-6-4-5-7-14-9/h4-7,11,13H,3,8H2,1-2H3
InChIKeyKDNIKEBXQLMYQP-UHFFFAOYSA-N
XLogP2.00
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-ethyl-2-pyridinyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
CID 105168864
2-(4-tert-butylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
CID 105136164
2-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
CID 105098842
2-(1-cyclopentylpyrazol-3-yl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
CID 105157026
N-methyl-1-(2-methylphenyl)-2-pyridin-2-ylethanamine
CID 60818162
2-(4-ethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105101333
1-(3,5-dimethylphenyl)-N-methyl-2-pyridin-2-ylethanamine
CID 54936986
1-(3-chloro-4-pyridinyl)-N-methyl-2-pyridin-2-ylethanamine
CID 105158118
1-(4-ethylthiadiazol-5-yl)-2-pyridin-2-ylethanone
CID 105108103
1-(2,3-difluoro-4-methylphenyl)-N-methyl-2-pyridin-2-ylethanamine
CID 107513169
N-methyl-2-pyridin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 62789836
1-cyclopropyl-N-methyl-2-pyridin-2-ylethanamine
CID 63352689

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylthiadiazol-5-yl)-N-methyl-2-pyridin-2-ylethanamine?
The IUPAC name of 1-(4-ethylthiadiazol-5-yl)-N-methyl-2-pyridin-2-ylethanamine (CID 105157988) is 1-(4-ethylthiadiazol-5-yl)-N-methyl-2-pyridin-2-ylethanamine.
What is the SMILES notation for 1-(4-ethylthiadiazol-5-yl)-N-methyl-2-pyridin-2-ylethanamine?
The canonical SMILES for 1-(4-ethylthiadiazol-5-yl)-N-methyl-2-pyridin-2-ylethanamine is CCc1nnsc1C(Cc1ccccn1)NC.
What is the InChIKey of 1-(4-ethylthiadiazol-5-yl)-N-methyl-2-pyridin-2-ylethanamine?
The InChIKey is KDNIKEBXQLMYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-3-10-12(17-16-15-10)11(13-2)8-9-6-4-5-7-14-9/h4-7,11,13H,3,8H2,1-2H3.
What are the key properties of 1-(4-ethylthiadiazol-5-yl)-N-methyl-2-pyridin-2-ylethanamine?
1-(4-ethylthiadiazol-5-yl)-N-methyl-2-pyridin-2-ylethanamine has a molecular weight of 248.35 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylthiadiazol-5-yl)-N-methyl-2-pyridin-2-ylethanamine is sourced from PubChem (CID 105157988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).