N-[(5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine

C15H14N4OS — CID 103045704

IUPACN-[(5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine
SMILESc1cc(Oc2nnc(CNC3CC3)s2)c2cccnc2c1
InChIInChI=1S/C15H14N4OS/c1-4-12-11(3-2-8-16-12)13(5-1)20-15-19-18-14(21-15)9-17-10-6-7-10/h1-5,8,10,17H,6-7,9H2
InChIKeyKNSFRHGPHQQBGU-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.13
Rot. Bonds5

About N-[(5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine

N-[(5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine (PubChem CID 103045704) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[(5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine
PubChem CID103045704
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC NameN-[(5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine
SMILESc1cc(Oc2nnc(CNC3CC3)s2)c2cccnc2c1
InChIInChI=1S/C15H14N4OS/c1-4-12-11(3-2-8-16-12)13(5-1)20-15-19-18-14(21-15)9-17-10-6-7-10/h1-5,8,10,17H,6-7,9H2
InChIKeyKNSFRHGPHQQBGU-UHFFFAOYSA-N
XLogP3.13
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine (CID 103045704) is N-[(5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine is c1cc(Oc2nnc(CNC3CC3)s2)c2cccnc2c1.
What is the InChIKey of N-[(5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine?
The InChIKey is KNSFRHGPHQQBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-4-12-11(3-2-8-16-12)13(5-1)20-15-19-18-14(21-15)9-17-10-6-7-10/h1-5,8,10,17H,6-7,9H2.
What are the key properties of N-[(5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine?
N-[(5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine has a molecular weight of 298.37 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-quinolin-5-yloxy-1,3,4-thiadiazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 103045704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).