2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine

C12H15ClN4S — CID 105157384

IUPAC2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
SMILESCCNC(Cc1ccncc1Cl)c1snnc1C
InChIInChI=1S/C12H15ClN4S/c1-3-15-11(12-8(2)16-17-18-12)6-9-4-5-14-7-10(9)13/h4-5,7,11,15H,3,6H2,1-2H3
InChIKeyLLFUKNSUDQSDKG-UHFFFAOYSA-N
MW282.80 g/mol
LogP2.79
Rot. Bonds5

About 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine

2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine (PubChem CID 105157384) has the molecular formula C12H15ClN4S and a molecular weight of 282.80 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
PubChem CID105157384
Molecular FormulaC12H15ClN4S
Molecular Weight282.80 g/mol
Exact Mass282.07
IUPAC Name2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
SMILESCCNC(Cc1ccncc1Cl)c1snnc1C
InChIInChI=1S/C12H15ClN4S/c1-3-15-11(12-8(2)16-17-18-12)6-9-4-5-14-7-10(9)13/h4-5,7,11,15H,3,6H2,1-2H3
InChIKeyLLFUKNSUDQSDKG-UHFFFAOYSA-N
XLogP2.79
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-4-pyridinyl)-N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105157435
2-(2-bromophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105087520
2-(2,5-dimethylphenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105101017
N-[2-(2,4-dichlorophenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105132701
2-(2,3-difluorophenyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105137731
2-(3-chloro-4-pyridinyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79723632
N-[2-(4-bromo-2-chlorophenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105181752
N-[2-(2-chloro-4-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105133333
1-(3-chloro-4-pyridinyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 105132627
2-(3-chloro-4-pyridinyl)-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105157299
1-(3-chloro-4-pyridinyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 105091774
N-ethyl-2-(2-methoxy-5-methylphenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105118074

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine (CID 105157384) is 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine is CCNC(Cc1ccncc1Cl)c1snnc1C.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine?
The InChIKey is LLFUKNSUDQSDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4S/c1-3-15-11(12-8(2)16-17-18-12)6-9-4-5-14-7-10(9)13/h4-5,7,11,15H,3,6H2,1-2H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine?
2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine has a molecular weight of 282.80 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105157384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).