1-(1,3-thiazol-5-yl)hexan-3-ol

C9H15NOS — CID 19417357

IUPAC1-(1,3-thiazol-5-yl)hexan-3-ol
SMILESCCCC(O)CCc1cncs1
InChIInChI=1S/C9H15NOS/c1-2-3-8(11)4-5-9-6-10-7-12-9/h6-8,11H,2-5H2,1H3
InChIKeyOFIAPCBVDBNEIE-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.24
Rot. Bonds5

About 1-(1,3-thiazol-5-yl)hexan-3-ol

1-(1,3-thiazol-5-yl)hexan-3-ol (PubChem CID 19417357) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 1-(1,3-thiazol-5-yl)hexan-3-ol.

Molecular Properties

Compound Name1-(1,3-thiazol-5-yl)hexan-3-ol
PubChem CID19417357
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name1-(1,3-thiazol-5-yl)hexan-3-ol
SMILESCCCC(O)CCc1cncs1
InChIInChI=1S/C9H15NOS/c1-2-3-8(11)4-5-9-6-10-7-12-9/h6-8,11H,2-5H2,1H3
InChIKeyOFIAPCBVDBNEIE-UHFFFAOYSA-N
XLogP2.24
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-5-yl)hexan-3-ol?
The IUPAC name of 1-(1,3-thiazol-5-yl)hexan-3-ol (CID 19417357) is 1-(1,3-thiazol-5-yl)hexan-3-ol.
What is the SMILES notation for 1-(1,3-thiazol-5-yl)hexan-3-ol?
The canonical SMILES for 1-(1,3-thiazol-5-yl)hexan-3-ol is CCCC(O)CCc1cncs1.
What is the InChIKey of 1-(1,3-thiazol-5-yl)hexan-3-ol?
The InChIKey is OFIAPCBVDBNEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-2-3-8(11)4-5-9-6-10-7-12-9/h6-8,11H,2-5H2,1H3.
What are the key properties of 1-(1,3-thiazol-5-yl)hexan-3-ol?
1-(1,3-thiazol-5-yl)hexan-3-ol has a molecular weight of 185.29 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-5-yl)hexan-3-ol is sourced from PubChem (CID 19417357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).