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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Related Compounds

N-methyl-1-(4-pyridin-2-ylthiadiazol-5-yl)methanamine
CID 65209448
N-[[4-(3-methylpyrazin-2-yl)thiadiazol-5-yl]methyl]cyclopropanamine
CID 114080509
N-[(2-pyridin-2-yl-1H-imidazol-5-yl)methyl]cyclopropanamine
CID 63108999
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356
N-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)methyl]cyclopropanamine
CID 62137410
N-[(4-ethyl-2-pyridin-2-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82428658
N-[(4,6-dimethyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]cyclopropanamine
CID 62746207
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 60837872
N-[(4-methyl-2-pyridin-2-ylpyrimidin-5-yl)methyl]cyclopropanamine
CID 114206497
N-[(4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 81174282
N-[[2-(pyridin-2-ylmethyl)-1H-imidazol-5-yl]methyl]cyclopropanamine
CID 63109128

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).