cyclopropyl-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine

C9H11N5OS — CID 65198647

IUPACcyclopropyl-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCc1nnsc1-c1nc(C(N)C2CC2)no1
InChIInChI=1S/C9H11N5OS/c1-4-7(16-14-12-4)9-11-8(13-15-9)6(10)5-2-3-5/h5-6H,2-3,10H2,1H3
InChIKeyKIUWECDZVYHYKD-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.31
Rot. Bonds3

About cyclopropyl-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine

cyclopropyl-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 65198647) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is cyclopropyl-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Namecyclopropyl-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID65198647
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC Namecyclopropyl-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCc1nnsc1-c1nc(C(N)C2CC2)no1
InChIInChI=1S/C9H11N5OS/c1-4-7(16-14-12-4)9-11-8(13-15-9)6(10)5-2-3-5/h5-6H,2-3,10H2,1H3
InChIKeyKIUWECDZVYHYKD-UHFFFAOYSA-N
XLogP1.31
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of cyclopropyl-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine (CID 65198647) is cyclopropyl-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for cyclopropyl-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for cyclopropyl-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine is Cc1nnsc1-c1nc(C(N)C2CC2)no1.
What is the InChIKey of cyclopropyl-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is KIUWECDZVYHYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-4-7(16-14-12-4)9-11-8(13-15-9)6(10)5-2-3-5/h5-6H,2-3,10H2,1H3.
What are the key properties of cyclopropyl-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine?
cyclopropyl-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 237.29 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-(4-methylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 65198647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).