N-[(4-pyridin-2-ylthiadiazol-5-yl)methyl]cyclopropanamine

C11H12N4S — CID 65209746

IUPACN-[(4-pyridin-2-ylthiadiazol-5-yl)methyl]cyclopropanamine
SMILESc1ccc(-c2nnsc2CNC2CC2)nc1
InChIInChI=1S/C11H12N4S/c1-2-6-12-9(3-1)11-10(16-15-14-11)7-13-8-4-5-8/h1-3,6,8,13H,4-5,7H2
InChIKeyFUEJSVYJCPQHLW-UHFFFAOYSA-N
MW232.31 g/mol
LogP1.85
Rot. Bonds4

About N-[(4-pyridin-2-ylthiadiazol-5-yl)methyl]cyclopropanamine

N-[(4-pyridin-2-ylthiadiazol-5-yl)methyl]cyclopropanamine (PubChem CID 65209746) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is N-[(4-pyridin-2-ylthiadiazol-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-pyridin-2-ylthiadiazol-5-yl)methyl]cyclopropanamine
PubChem CID65209746
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC NameN-[(4-pyridin-2-ylthiadiazol-5-yl)methyl]cyclopropanamine
SMILESc1ccc(-c2nnsc2CNC2CC2)nc1
InChIInChI=1S/C11H12N4S/c1-2-6-12-9(3-1)11-10(16-15-14-11)7-13-8-4-5-8/h1-3,6,8,13H,4-5,7H2
InChIKeyFUEJSVYJCPQHLW-UHFFFAOYSA-N
XLogP1.85
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-pyridin-2-ylthiadiazol-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-pyridin-2-ylthiadiazol-5-yl)methyl]cyclopropanamine (CID 65209746) is N-[(4-pyridin-2-ylthiadiazol-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-pyridin-2-ylthiadiazol-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-pyridin-2-ylthiadiazol-5-yl)methyl]cyclopropanamine is c1ccc(-c2nnsc2CNC2CC2)nc1.
What is the InChIKey of N-[(4-pyridin-2-ylthiadiazol-5-yl)methyl]cyclopropanamine?
The InChIKey is FUEJSVYJCPQHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-2-6-12-9(3-1)11-10(16-15-14-11)7-13-8-4-5-8/h1-3,6,8,13H,4-5,7H2.
What are the key properties of N-[(4-pyridin-2-ylthiadiazol-5-yl)methyl]cyclopropanamine?
N-[(4-pyridin-2-ylthiadiazol-5-yl)methyl]cyclopropanamine has a molecular weight of 232.31 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyridin-2-ylthiadiazol-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 65209746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).