2-[1-(4-methylthiadiazol-5-yl)cyclopropyl]ethanamine

C8H13N3S — CID 82406955

IUPAC2-[1-(4-methylthiadiazol-5-yl)cyclopropyl]ethanamine
SMILESCc1nnsc1C1(CCN)CC1
InChIInChI=1S/C8H13N3S/c1-6-7(12-11-10-6)8(2-3-8)4-5-9/h2-5,9H2,1H3
InChIKeyBXZIJXYPWMGWAN-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.23
Rot. Bonds3

About 2-[1-(4-methylthiadiazol-5-yl)cyclopropyl]ethanamine

2-[1-(4-methylthiadiazol-5-yl)cyclopropyl]ethanamine (PubChem CID 82406955) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-[1-(4-methylthiadiazol-5-yl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-methylthiadiazol-5-yl)cyclopropyl]ethanamine
PubChem CID82406955
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name2-[1-(4-methylthiadiazol-5-yl)cyclopropyl]ethanamine
SMILESCc1nnsc1C1(CCN)CC1
InChIInChI=1S/C8H13N3S/c1-6-7(12-11-10-6)8(2-3-8)4-5-9/h2-5,9H2,1H3
InChIKeyBXZIJXYPWMGWAN-UHFFFAOYSA-N
XLogP1.23
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylthiadiazol-5-yl)cyclopropyl]ethanamine?
The IUPAC name of 2-[1-(4-methylthiadiazol-5-yl)cyclopropyl]ethanamine (CID 82406955) is 2-[1-(4-methylthiadiazol-5-yl)cyclopropyl]ethanamine.
What is the SMILES notation for 2-[1-(4-methylthiadiazol-5-yl)cyclopropyl]ethanamine?
The canonical SMILES for 2-[1-(4-methylthiadiazol-5-yl)cyclopropyl]ethanamine is Cc1nnsc1C1(CCN)CC1.
What is the InChIKey of 2-[1-(4-methylthiadiazol-5-yl)cyclopropyl]ethanamine?
The InChIKey is BXZIJXYPWMGWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-6-7(12-11-10-6)8(2-3-8)4-5-9/h2-5,9H2,1H3.
What are the key properties of 2-[1-(4-methylthiadiazol-5-yl)cyclopropyl]ethanamine?
2-[1-(4-methylthiadiazol-5-yl)cyclopropyl]ethanamine has a molecular weight of 183.28 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylthiadiazol-5-yl)cyclopropyl]ethanamine is sourced from PubChem (CID 82406955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).