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

C12H21NOS2 — CID 82429293

IUPAC2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCCc1nc(CSC(C)C)sc1C(C)(C)O
InChIInChI=1S/C12H21NOS2/c1-6-9-11(12(4,5)14)16-10(13-9)7-15-8(2)3/h8,14H,6-7H2,1-5H3
InChIKeyWVUVDDMDQQIJSO-UHFFFAOYSA-N
MW259.44 g/mol
LogP3.57
Rot. Bonds5

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

2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 82429293) has the molecular formula C12H21NOS2 and a molecular weight of 259.44 g/mol. Its IUPAC name is 2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol
PubChem CID82429293
Molecular FormulaC12H21NOS2
Molecular Weight259.44 g/mol
Exact Mass259.11
IUPAC Name2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCCc1nc(CSC(C)C)sc1C(C)(C)O
InChIInChI=1S/C12H21NOS2/c1-6-9-11(12(4,5)14)16-10(13-9)7-15-8(2)3/h8,14H,6-7H2,1-5H3
InChIKeyWVUVDDMDQQIJSO-UHFFFAOYSA-N
XLogP3.57
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 53.57
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-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol (CID 82429293) is 2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol is CCc1nc(CSC(C)C)sc1C(C)(C)O.
What is the InChIKey of 2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is WVUVDDMDQQIJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS2/c1-6-9-11(12(4,5)14)16-10(13-9)7-15-8(2)3/h8,14H,6-7H2,1-5H3.
What are the key properties of 2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol?
2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 259.44 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 82429293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).