5-[(5-cyclopropyl-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-amine

C11H12N4OS — CID 155342432

IUPAC5-[(5-cyclopropyl-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(OCc2ccc(C3CC3)cn2)s1
InChIInChI=1S/C11H12N4OS/c12-10-14-15-11(17-10)16-6-9-4-3-8(5-13-9)7-1-2-7/h3-5,7H,1-2,6H2,(H2,12,14)
InChIKeyGLTXWBSYMCZIHB-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.97
Rot. Bonds4

About 5-[(5-cyclopropyl-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-amine

5-[(5-cyclopropyl-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-amine (PubChem CID 155342432) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 5-[(5-cyclopropyl-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(5-cyclopropyl-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-amine
PubChem CID155342432
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name5-[(5-cyclopropyl-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(OCc2ccc(C3CC3)cn2)s1
InChIInChI=1S/C11H12N4OS/c12-10-14-15-11(17-10)16-6-9-4-3-8(5-13-9)7-1-2-7/h3-5,7H,1-2,6H2,(H2,12,14)
InChIKeyGLTXWBSYMCZIHB-UHFFFAOYSA-N
XLogP1.97
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyclopropyl-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(5-cyclopropyl-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-amine (CID 155342432) is 5-[(5-cyclopropyl-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(5-cyclopropyl-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(5-cyclopropyl-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-amine is Nc1nnc(OCc2ccc(C3CC3)cn2)s1.
What is the InChIKey of 5-[(5-cyclopropyl-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-amine?
The InChIKey is GLTXWBSYMCZIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c12-10-14-15-11(17-10)16-6-9-4-3-8(5-13-9)7-1-2-7/h3-5,7H,1-2,6H2,(H2,12,14).
What are the key properties of 5-[(5-cyclopropyl-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-amine?
5-[(5-cyclopropyl-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-amine has a molecular weight of 248.31 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyclopropyl-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 155342432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).