(5-ethoxy-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanamine

C10H12N4OS — CID 105175526

IUPAC(5-ethoxy-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanamine
SMILESCCOc1cncc(C(N)c2cnsn2)c1
InChIInChI=1S/C10H12N4OS/c1-2-15-8-3-7(4-12-5-8)10(11)9-6-13-16-14-9/h3-6,10H,2,11H2,1H3
InChIKeyLYRULDNXERYKEU-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.38
Rot. Bonds4

About (5-ethoxy-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanamine

(5-ethoxy-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanamine (PubChem CID 105175526) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is (5-ethoxy-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(5-ethoxy-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanamine
PubChem CID105175526
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name(5-ethoxy-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanamine
SMILESCCOc1cncc(C(N)c2cnsn2)c1
InChIInChI=1S/C10H12N4OS/c1-2-15-8-3-7(4-12-5-8)10(11)9-6-13-16-14-9/h3-6,10H,2,11H2,1H3
InChIKeyLYRULDNXERYKEU-UHFFFAOYSA-N
XLogP1.38
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5-fluoro-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanamine
CID 105102336
(5-ethoxy-3-pyridinyl)-quinoxalin-2-ylmethanamine
CID 107357366
(5-ethoxy-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine
CID 105026593
(2,5-dimethylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105026374
(5-ethoxy-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105175454
(5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanamine
CID 105026408
(5-ethoxy-3-pyridinyl)-(2-ethylfuran-3-yl)methanamine
CID 114104489
(4-bromo-3-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105026649
(2-bromo-3-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 107985314
(3-bromo-2-methylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105026543
2-(5-ethoxy-3-pyridinyl)-3-methylbutan-1-amine
CID 83884024
(2-bromo-3,4-difluorophenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 107538741

Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanamine?
The IUPAC name of (5-ethoxy-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanamine (CID 105175526) is (5-ethoxy-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanamine.
What is the SMILES notation for (5-ethoxy-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanamine?
The canonical SMILES for (5-ethoxy-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanamine is CCOc1cncc(C(N)c2cnsn2)c1.
What is the InChIKey of (5-ethoxy-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanamine?
The InChIKey is LYRULDNXERYKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-2-15-8-3-7(4-12-5-8)10(11)9-6-13-16-14-9/h3-6,10H,2,11H2,1H3.
What are the key properties of (5-ethoxy-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanamine?
(5-ethoxy-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanamine has a molecular weight of 236.30 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanamine is sourced from PubChem (CID 105175526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).