3-methoxy-5-propan-2-yl-1,2-thiazole

C7H11NOS — CID 58942655

IUPAC3-methoxy-5-propan-2-yl-1,2-thiazole
SMILESCOc1cc(C(C)C)sn1
InChIInChI=1S/C7H11NOS/c1-5(2)6-4-7(9-3)8-10-6/h4-5H,1-3H3
InChIKeyLSLQYEHCLNBXDM-UHFFFAOYSA-N
MW157.24 g/mol
LogP2.28
Rot. Bonds2

About 3-methoxy-5-propan-2-yl-1,2-thiazole

3-methoxy-5-propan-2-yl-1,2-thiazole (PubChem CID 58942655) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 3-methoxy-5-propan-2-yl-1,2-thiazole.

Molecular Properties

Compound Name3-methoxy-5-propan-2-yl-1,2-thiazole
PubChem CID58942655
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name3-methoxy-5-propan-2-yl-1,2-thiazole
SMILESCOc1cc(C(C)C)sn1
InChIInChI=1S/C7H11NOS/c1-5(2)6-4-7(9-3)8-10-6/h4-5H,1-3H3
InChIKeyLSLQYEHCLNBXDM-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 3-methoxy-5-propan-2-yl-1,2-thiazole?
The IUPAC name of 3-methoxy-5-propan-2-yl-1,2-thiazole (CID 58942655) is 3-methoxy-5-propan-2-yl-1,2-thiazole.
What is the SMILES notation for 3-methoxy-5-propan-2-yl-1,2-thiazole?
The canonical SMILES for 3-methoxy-5-propan-2-yl-1,2-thiazole is COc1cc(C(C)C)sn1.
What is the InChIKey of 3-methoxy-5-propan-2-yl-1,2-thiazole?
The InChIKey is LSLQYEHCLNBXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-5(2)6-4-7(9-3)8-10-6/h4-5H,1-3H3.
What are the key properties of 3-methoxy-5-propan-2-yl-1,2-thiazole?
3-methoxy-5-propan-2-yl-1,2-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 3-methoxy-5-propan-2-yl-1,2-thiazole is sourced from PubChem (CID 58942655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).