5-pyridin-2-yl-N-(2-pyridin-3-yloxyethyl)-1,3,4-thiadiazol-2-amine

C14H13N5OS — CID 133454814

IUPAC5-pyridin-2-yl-N-(2-pyridin-3-yloxyethyl)-1,3,4-thiadiazol-2-amine
SMILESc1ccc(-c2nnc(NCCOc3cccnc3)s2)nc1
InChIInChI=1S/C14H13N5OS/c1-2-7-16-12(5-1)13-18-19-14(21-13)17-8-9-20-11-4-3-6-15-10-11/h1-7,10H,8-9H2,(H,17,19)
InChIKeyZPIWWFRTUCRZJW-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.49
Rot. Bonds6

About 5-pyridin-2-yl-N-(2-pyridin-3-yloxyethyl)-1,3,4-thiadiazol-2-amine

5-pyridin-2-yl-N-(2-pyridin-3-yloxyethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 133454814) has the molecular formula C14H13N5OS and a molecular weight of 299.36 g/mol. Its IUPAC name is 5-pyridin-2-yl-N-(2-pyridin-3-yloxyethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-pyridin-2-yl-N-(2-pyridin-3-yloxyethyl)-1,3,4-thiadiazol-2-amine
PubChem CID133454814
Molecular FormulaC14H13N5OS
Molecular Weight299.36 g/mol
Exact Mass299.08
IUPAC Name5-pyridin-2-yl-N-(2-pyridin-3-yloxyethyl)-1,3,4-thiadiazol-2-amine
SMILESc1ccc(-c2nnc(NCCOc3cccnc3)s2)nc1
InChIInChI=1S/C14H13N5OS/c1-2-7-16-12(5-1)13-18-19-14(21-13)17-8-9-20-11-4-3-6-15-10-11/h1-7,10H,8-9H2,(H,17,19)
InChIKeyZPIWWFRTUCRZJW-UHFFFAOYSA-N
XLogP2.49
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133442342
N-(3-cyclopentylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133468195
3-[[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]methyl]pentan-3-ol
CID 133442973
5-bromo-N-(3-phenoxypropyl)-1,3,4-thiadiazol-2-amine
CID 64622861
N-(2-methyl-2-methylsulfonylpropyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133455175
N-[(3-methylphenyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133468186
2-fluoro-5-pyridin-2-yl-1,3,4-thiadiazole
CID 135397065
N-[(1-cyclopropylcyclobutyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 127863865
3-(3-phenoxypropoxy)pyridine
CID 86195847
N-[2-(3-methylpiperidin-1-yl)ethyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133442238
2-(2-methoxyethylamino)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 119855748
2-(pyridin-2-ylmethyl)-3-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]propan-1-ol
CID 133455211

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-yl-N-(2-pyridin-3-yloxyethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-pyridin-2-yl-N-(2-pyridin-3-yloxyethyl)-1,3,4-thiadiazol-2-amine (CID 133454814) is 5-pyridin-2-yl-N-(2-pyridin-3-yloxyethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-pyridin-2-yl-N-(2-pyridin-3-yloxyethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-pyridin-2-yl-N-(2-pyridin-3-yloxyethyl)-1,3,4-thiadiazol-2-amine is c1ccc(-c2nnc(NCCOc3cccnc3)s2)nc1.
What is the InChIKey of 5-pyridin-2-yl-N-(2-pyridin-3-yloxyethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is ZPIWWFRTUCRZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5OS/c1-2-7-16-12(5-1)13-18-19-14(21-13)17-8-9-20-11-4-3-6-15-10-11/h1-7,10H,8-9H2,(H,17,19).
What are the key properties of 5-pyridin-2-yl-N-(2-pyridin-3-yloxyethyl)-1,3,4-thiadiazol-2-amine?
5-pyridin-2-yl-N-(2-pyridin-3-yloxyethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 299.36 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-2-yl-N-(2-pyridin-3-yloxyethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133454814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).