5-(1-methoxy-2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbaldehyde

C12H14N2O2S2 — CID 88903662

IUPAC5-(1-methoxy-2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbaldehyde
SMILESCOC(c1sc(-c2nccs2)nc1C=O)C(C)C
InChIInChI=1S/C12H14N2O2S2/c1-7(2)9(16-3)10-8(6-15)14-12(18-10)11-13-4-5-17-11/h4-7,9H,1-3H3
InChIKeyZILHVPWXJDVAPX-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.42
Rot. Bonds5

About 5-(1-methoxy-2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbaldehyde

5-(1-methoxy-2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbaldehyde (PubChem CID 88903662) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 5-(1-methoxy-2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(1-methoxy-2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbaldehyde
PubChem CID88903662
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC Name5-(1-methoxy-2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbaldehyde
SMILESCOC(c1sc(-c2nccs2)nc1C=O)C(C)C
InChIInChI=1S/C12H14N2O2S2/c1-7(2)9(16-3)10-8(6-15)14-12(18-10)11-13-4-5-17-11/h4-7,9H,1-3H3
InChIKeyZILHVPWXJDVAPX-UHFFFAOYSA-N
XLogP3.42
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxy-2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 5-(1-methoxy-2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbaldehyde (CID 88903662) is 5-(1-methoxy-2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 5-(1-methoxy-2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 5-(1-methoxy-2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbaldehyde is COC(c1sc(-c2nccs2)nc1C=O)C(C)C.
What is the InChIKey of 5-(1-methoxy-2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is ZILHVPWXJDVAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c1-7(2)9(16-3)10-8(6-15)14-12(18-10)11-13-4-5-17-11/h4-7,9H,1-3H3.
What are the key properties of 5-(1-methoxy-2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbaldehyde?
5-(1-methoxy-2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 282.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxy-2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 88903662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).