N-propan-2-yloxy-1-(1,3-thiazol-5-yl)methanimine

C7H10N2OS — CID 155666701

IUPACN-propan-2-yloxy-1-(1,3-thiazol-5-yl)methanimine
SMILESCC(C)ON=Cc1cncs1
InChIInChI=1S/C7H10N2OS/c1-6(2)10-9-4-7-3-8-5-11-7/h3-6H,1-2H3
InChIKeyYYPCDQVNWGEATK-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.90
Rot. Bonds3

About N-propan-2-yloxy-1-(1,3-thiazol-5-yl)methanimine

N-propan-2-yloxy-1-(1,3-thiazol-5-yl)methanimine (PubChem CID 155666701) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is N-propan-2-yloxy-1-(1,3-thiazol-5-yl)methanimine.

Molecular Properties

Compound NameN-propan-2-yloxy-1-(1,3-thiazol-5-yl)methanimine
PubChem CID155666701
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC NameN-propan-2-yloxy-1-(1,3-thiazol-5-yl)methanimine
SMILESCC(C)ON=Cc1cncs1
InChIInChI=1S/C7H10N2OS/c1-6(2)10-9-4-7-3-8-5-11-7/h3-6H,1-2H3
InChIKeyYYPCDQVNWGEATK-UHFFFAOYSA-N
XLogP1.90
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yloxy-1-(1,3-thiazol-5-yl)methanimine?
The IUPAC name of N-propan-2-yloxy-1-(1,3-thiazol-5-yl)methanimine (CID 155666701) is N-propan-2-yloxy-1-(1,3-thiazol-5-yl)methanimine.
What is the SMILES notation for N-propan-2-yloxy-1-(1,3-thiazol-5-yl)methanimine?
The canonical SMILES for N-propan-2-yloxy-1-(1,3-thiazol-5-yl)methanimine is CC(C)ON=Cc1cncs1.
What is the InChIKey of N-propan-2-yloxy-1-(1,3-thiazol-5-yl)methanimine?
The InChIKey is YYPCDQVNWGEATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-6(2)10-9-4-7-3-8-5-11-7/h3-6H,1-2H3.
What are the key properties of N-propan-2-yloxy-1-(1,3-thiazol-5-yl)methanimine?
N-propan-2-yloxy-1-(1,3-thiazol-5-yl)methanimine has a molecular weight of 170.24 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yloxy-1-(1,3-thiazol-5-yl)methanimine is sourced from PubChem (CID 155666701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).