2-methoxy-4-propan-2-yl-1,3-thiazole

C7H11NOS — CID 18736803

IUPAC2-methoxy-4-propan-2-yl-1,3-thiazole
SMILESCOc1nc(C(C)C)cs1
InChIInChI=1S/C7H11NOS/c1-5(2)6-4-10-7(8-6)9-3/h4-5H,1-3H3
InChIKeyRMZUKKSDOGXIIZ-UHFFFAOYSA-N
MW157.24 g/mol
LogP2.28
Rot. Bonds2

About 2-methoxy-4-propan-2-yl-1,3-thiazole

2-methoxy-4-propan-2-yl-1,3-thiazole (PubChem CID 18736803) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 2-methoxy-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-methoxy-4-propan-2-yl-1,3-thiazole
PubChem CID18736803
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name2-methoxy-4-propan-2-yl-1,3-thiazole
SMILESCOc1nc(C(C)C)cs1
InChIInChI=1S/C7H11NOS/c1-5(2)6-4-10-7(8-6)9-3/h4-5H,1-3H3
InChIKeyRMZUKKSDOGXIIZ-UHFFFAOYSA-N
XLogP2.28
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-methoxy-4-propan-2-yl-1,3-thiazole (CID 18736803) is 2-methoxy-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-methoxy-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-methoxy-4-propan-2-yl-1,3-thiazole is COc1nc(C(C)C)cs1.
What is the InChIKey of 2-methoxy-4-propan-2-yl-1,3-thiazole?
The InChIKey is RMZUKKSDOGXIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-5(2)6-4-10-7(8-6)9-3/h4-5H,1-3H3.
What are the key properties of 2-methoxy-4-propan-2-yl-1,3-thiazole?
2-methoxy-4-propan-2-yl-1,3-thiazole has a molecular weight of 157.24 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 18736803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).