N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

C17H17N5OS — CID 84600140

IUPACN-[(2-cyclobutyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(-c2nnc(NCc3ccnc(OC4CCC4)c3)s2)nc1
InChIInChI=1S/C17H17N5OS/c1-2-8-18-14(6-1)16-21-22-17(24-16)20-11-12-7-9-19-15(10-12)23-13-4-3-5-13/h1-2,6-10,13H,3-5,11H2,(H,20,22)
InChIKeyXBOKWOPSSRBNPD-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.54
Rot. Bonds6

About N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 84600140) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(2-cyclobutyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID84600140
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC NameN-[(2-cyclobutyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(-c2nnc(NCc3ccnc(OC4CCC4)c3)s2)nc1
InChIInChI=1S/C17H17N5OS/c1-2-8-18-14(6-1)16-21-22-17(24-16)20-11-12-7-9-19-15(10-12)23-13-4-3-5-13/h1-2,6-10,13H,3-5,11H2,(H,20,22)
InChIKeyXBOKWOPSSRBNPD-UHFFFAOYSA-N
XLogP3.54
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (CID 84600140) is N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is c1ccc(-c2nnc(NCc3ccnc(OC4CCC4)c3)s2)nc1.
What is the InChIKey of N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is XBOKWOPSSRBNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-2-8-18-14(6-1)16-21-22-17(24-16)20-11-12-7-9-19-15(10-12)23-13-4-3-5-13/h1-2,6-10,13H,3-5,11H2,(H,20,22).
What are the key properties of N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 339.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 84600140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).