1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylmethanimine

C8H10N2S — CID 118654672

IUPAC1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylmethanimine
SMILESC/N=C/c1cnc(C2CC2)s1
InChIInChI=1S/C8H10N2S/c1-9-4-7-5-10-8(11-7)6-2-3-6/h4-6H,2-3H2,1H3/b9-4+
InChIKeyJTOIXOMMKHYKOF-RUDMXATFSA-N
MW166.25 g/mol
LogP2.07
Rot. Bonds2

About 1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylmethanimine

1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylmethanimine (PubChem CID 118654672) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylmethanimine.

Molecular Properties

Compound Name1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylmethanimine
PubChem CID118654672
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylmethanimine
SMILESC/N=C/c1cnc(C2CC2)s1
InChIInChI=1S/C8H10N2S/c1-9-4-7-5-10-8(11-7)6-2-3-6/h4-6H,2-3H2,1H3/b9-4+
InChIKeyJTOIXOMMKHYKOF-RUDMXATFSA-N
XLogP2.07
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylmethanimine?
The IUPAC name of 1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylmethanimine (CID 118654672) is 1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylmethanimine.
What is the SMILES notation for 1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylmethanimine?
The canonical SMILES for 1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylmethanimine is C/N=C/c1cnc(C2CC2)s1.
What is the InChIKey of 1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylmethanimine?
The InChIKey is JTOIXOMMKHYKOF-RUDMXATFSA-N. The full InChI is InChI=1S/C8H10N2S/c1-9-4-7-5-10-8(11-7)6-2-3-6/h4-6H,2-3H2,1H3/b9-4+.
What are the key properties of 1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylmethanimine?
1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylmethanimine has a molecular weight of 166.25 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1,3-thiazol-5-yl)-N-methylmethanimine is sourced from PubChem (CID 118654672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).