2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-ol

C12H19NO2S — CID 82429607

IUPAC2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCCc1nc(C2CCCO2)sc1C(C)(C)O
InChIInChI=1S/C12H19NO2S/c1-4-8-10(12(2,3)14)16-11(13-8)9-6-5-7-15-9/h9,14H,4-7H2,1-3H3
InChIKeyTXKAHWKGHFQFAL-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.78
Rot. Bonds3

About 2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-ol

2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 82429607) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-ol
PubChem CID82429607
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCCc1nc(C2CCCO2)sc1C(C)(C)O
InChIInChI=1S/C12H19NO2S/c1-4-8-10(12(2,3)14)16-11(13-8)9-6-5-7-15-9/h9,14H,4-7H2,1-3H3
InChIKeyTXKAHWKGHFQFAL-UHFFFAOYSA-N
XLogP2.78
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-ol (CID 82429607) is 2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-ol is CCc1nc(C2CCCO2)sc1C(C)(C)O.
What is the InChIKey of 2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is TXKAHWKGHFQFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-8-10(12(2,3)14)16-11(13-8)9-6-5-7-15-9/h9,14H,4-7H2,1-3H3.
What are the key properties of 2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-ol?
2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 241.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 82429607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).