4-chloro-2-(1-methoxypropan-2-yloxy)-1,3-thiazole

C7H10ClNO2S — CID 83152269

IUPAC4-chloro-2-(1-methoxypropan-2-yloxy)-1,3-thiazole
SMILESCOCC(C)Oc1nc(Cl)cs1
InChIInChI=1S/C7H10ClNO2S/c1-5(3-10-2)11-7-9-6(8)4-12-7/h4-5H,3H2,1-2H3
InChIKeyDGNZQJUYLOQOCD-UHFFFAOYSA-N
MW207.68 g/mol
LogP2.21
Rot. Bonds4

About 4-chloro-2-(1-methoxypropan-2-yloxy)-1,3-thiazole

4-chloro-2-(1-methoxypropan-2-yloxy)-1,3-thiazole (PubChem CID 83152269) has the molecular formula C7H10ClNO2S and a molecular weight of 207.68 g/mol. Its IUPAC name is 4-chloro-2-(1-methoxypropan-2-yloxy)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(1-methoxypropan-2-yloxy)-1,3-thiazole
PubChem CID83152269
Molecular FormulaC7H10ClNO2S
Molecular Weight207.68 g/mol
Exact Mass207.01
IUPAC Name4-chloro-2-(1-methoxypropan-2-yloxy)-1,3-thiazole
SMILESCOCC(C)Oc1nc(Cl)cs1
InChIInChI=1S/C7H10ClNO2S/c1-5(3-10-2)11-7-9-6(8)4-12-7/h4-5H,3H2,1-2H3
InChIKeyDGNZQJUYLOQOCD-UHFFFAOYSA-N
XLogP2.21
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.68
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-methoxypropan-2-yloxy)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(1-methoxypropan-2-yloxy)-1,3-thiazole (CID 83152269) is 4-chloro-2-(1-methoxypropan-2-yloxy)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(1-methoxypropan-2-yloxy)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(1-methoxypropan-2-yloxy)-1,3-thiazole is COCC(C)Oc1nc(Cl)cs1.
What is the InChIKey of 4-chloro-2-(1-methoxypropan-2-yloxy)-1,3-thiazole?
The InChIKey is DGNZQJUYLOQOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNO2S/c1-5(3-10-2)11-7-9-6(8)4-12-7/h4-5H,3H2,1-2H3.
What are the key properties of 4-chloro-2-(1-methoxypropan-2-yloxy)-1,3-thiazole?
4-chloro-2-(1-methoxypropan-2-yloxy)-1,3-thiazole has a molecular weight of 207.68 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-methoxypropan-2-yloxy)-1,3-thiazole is sourced from PubChem (CID 83152269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).