2-(3-chloro-4-pyridinyl)-1-(4-ethylthiadiazol-5-yl)ethanamine

C11H13ClN4S — CID 105157299

IUPAC2-(3-chloro-4-pyridinyl)-1-(4-ethylthiadiazol-5-yl)ethanamine
SMILESCCc1nnsc1C(N)Cc1ccncc1Cl
InChIInChI=1S/C11H13ClN4S/c1-2-10-11(17-16-15-10)9(13)5-7-3-4-14-6-8(7)12/h3-4,6,9H,2,5,13H2,1H3
InChIKeyYXCMMQIUILMEJA-UHFFFAOYSA-N
MW268.77 g/mol
LogP2.39
Rot. Bonds4

About 2-(3-chloro-4-pyridinyl)-1-(4-ethylthiadiazol-5-yl)ethanamine

2-(3-chloro-4-pyridinyl)-1-(4-ethylthiadiazol-5-yl)ethanamine (PubChem CID 105157299) has the molecular formula C11H13ClN4S and a molecular weight of 268.77 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-(4-ethylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-(4-ethylthiadiazol-5-yl)ethanamine
PubChem CID105157299
Molecular FormulaC11H13ClN4S
Molecular Weight268.77 g/mol
Exact Mass268.05
IUPAC Name2-(3-chloro-4-pyridinyl)-1-(4-ethylthiadiazol-5-yl)ethanamine
SMILESCCc1nnsc1C(N)Cc1ccncc1Cl
InChIInChI=1S/C11H13ClN4S/c1-2-10-11(17-16-15-10)9(13)5-7-3-4-14-6-8(7)12/h3-4,6,9H,2,5,13H2,1H3
InChIKeyYXCMMQIUILMEJA-UHFFFAOYSA-N
XLogP2.39
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 102866349
2-(2-bromophenyl)-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 105087328
1-(4-ethylthiadiazol-5-yl)-2-phenylethanamine
CID 105084360
2-(3-chloro-4-pyridinyl)-N-ethyl-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105157384
1-(4-ethylthiadiazol-5-yl)-2-thiophen-3-ylethanamine
CID 105137431
1-(4-ethylthiadiazol-5-yl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105167023
2-(3-chloro-4-pyridinyl)-1-(2,5-dimethylphenyl)ethanamine
CID 112655409
1-(3-chloro-4-pyridinyl)-4-methoxy-4-methylpentan-2-amine
CID 103027370
2-(3-chloro-4-pyridinyl)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 112655458
1-(2-bromo-4-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655450
4-(2-bromo-3-methylbutyl)-3-chloropyridine
CID 79841432
1-(4-chloro-2-methoxyphenyl)-2-(3-chloro-4-pyridinyl)ethanamine
CID 112655454

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(4-ethylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(4-ethylthiadiazol-5-yl)ethanamine (CID 105157299) is 2-(3-chloro-4-pyridinyl)-1-(4-ethylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-(4-ethylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-(4-ethylthiadiazol-5-yl)ethanamine is CCc1nnsc1C(N)Cc1ccncc1Cl.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-(4-ethylthiadiazol-5-yl)ethanamine?
The InChIKey is YXCMMQIUILMEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4S/c1-2-10-11(17-16-15-10)9(13)5-7-3-4-14-6-8(7)12/h3-4,6,9H,2,5,13H2,1H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-(4-ethylthiadiazol-5-yl)ethanamine?
2-(3-chloro-4-pyridinyl)-1-(4-ethylthiadiazol-5-yl)ethanamine has a molecular weight of 268.77 g/mol, XLogP of 2.39, 4 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)-1-(4-ethylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105157299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).