4-chloro-2-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carbaldehyde

C8H10ClNO2S — CID 80687357

IUPAC4-chloro-2-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carbaldehyde
SMILESCC(C)(C)Oc1nc(Cl)c(C=O)s1
InChIInChI=1S/C8H10ClNO2S/c1-8(2,3)12-7-10-6(9)5(4-11)13-7/h4H,1-3H3
InChIKeyYIQKBTGYRKCQEE-UHFFFAOYSA-N
MW219.69 g/mol
LogP2.79
Rot. Bonds2

About 4-chloro-2-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carbaldehyde

4-chloro-2-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carbaldehyde (PubChem CID 80687357) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is 4-chloro-2-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carbaldehyde
PubChem CID80687357
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC Name4-chloro-2-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carbaldehyde
SMILESCC(C)(C)Oc1nc(Cl)c(C=O)s1
InChIInChI=1S/C8H10ClNO2S/c1-8(2,3)12-7-10-6(9)5(4-11)13-7/h4H,1-3H3
InChIKeyYIQKBTGYRKCQEE-UHFFFAOYSA-N
XLogP2.79
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carbaldehyde (CID 80687357) is 4-chloro-2-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carbaldehyde is CC(C)(C)Oc1nc(Cl)c(C=O)s1.
What is the InChIKey of 4-chloro-2-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carbaldehyde?
The InChIKey is YIQKBTGYRKCQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c1-8(2,3)12-7-10-6(9)5(4-11)13-7/h4H,1-3H3.
What are the key properties of 4-chloro-2-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carbaldehyde?
4-chloro-2-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carbaldehyde has a molecular weight of 219.69 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-methylpropan-2-yl)oxy]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 80687357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).