[2-(4-methylthiadiazol-5-yl)cyclopropyl]methanamine

C7H11N3S — CID 130979706

IUPAC[2-(4-methylthiadiazol-5-yl)cyclopropyl]methanamine
SMILESCc1nnsc1C1CC1CN
InChIInChI=1S/C7H11N3S/c1-4-7(11-10-9-4)6-2-5(6)3-8/h5-6H,2-3,8H2,1H3
InChIKeyZNNJWDSRIIYXPH-UHFFFAOYSA-N
MW169.25 g/mol
LogP0.91
Rot. Bonds2

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

[2-(4-methylthiadiazol-5-yl)cyclopropyl]methanamine (PubChem CID 130979706) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is [2-(4-methylthiadiazol-5-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[2-(4-methylthiadiazol-5-yl)cyclopropyl]methanamine
PubChem CID130979706
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name[2-(4-methylthiadiazol-5-yl)cyclopropyl]methanamine
SMILESCc1nnsc1C1CC1CN
InChIInChI=1S/C7H11N3S/c1-4-7(11-10-9-4)6-2-5(6)3-8/h5-6H,2-3,8H2,1H3
InChIKeyZNNJWDSRIIYXPH-UHFFFAOYSA-N
XLogP0.91
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylthiadiazol-5-yl)cyclopropyl]methanamine?
The IUPAC name of [2-(4-methylthiadiazol-5-yl)cyclopropyl]methanamine (CID 130979706) is [2-(4-methylthiadiazol-5-yl)cyclopropyl]methanamine.
What is the SMILES notation for [2-(4-methylthiadiazol-5-yl)cyclopropyl]methanamine?
The canonical SMILES for [2-(4-methylthiadiazol-5-yl)cyclopropyl]methanamine is Cc1nnsc1C1CC1CN.
What is the InChIKey of [2-(4-methylthiadiazol-5-yl)cyclopropyl]methanamine?
The InChIKey is ZNNJWDSRIIYXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-4-7(11-10-9-4)6-2-5(6)3-8/h5-6H,2-3,8H2,1H3.
What are the key properties of [2-(4-methylthiadiazol-5-yl)cyclopropyl]methanamine?
[2-(4-methylthiadiazol-5-yl)cyclopropyl]methanamine has a molecular weight of 169.25 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylthiadiazol-5-yl)cyclopropyl]methanamine is sourced from PubChem (CID 130979706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).