3-(1,2-thiazol-5-yl)pentan-3-ol

C8H13NOS — CID 131059314

IUPAC3-(1,2-thiazol-5-yl)pentan-3-ol
SMILESCCC(O)(CC)c1ccns1
InChIInChI=1S/C8H13NOS/c1-3-8(10,4-2)7-5-6-9-11-7/h5-6,10H,3-4H2,1-2H3
InChIKeyCRGZFZORFHKOIG-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.15
Rot. Bonds3

About 3-(1,2-thiazol-5-yl)pentan-3-ol

3-(1,2-thiazol-5-yl)pentan-3-ol (PubChem CID 131059314) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 3-(1,2-thiazol-5-yl)pentan-3-ol.

Molecular Properties

Compound Name3-(1,2-thiazol-5-yl)pentan-3-ol
PubChem CID131059314
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name3-(1,2-thiazol-5-yl)pentan-3-ol
SMILESCCC(O)(CC)c1ccns1
InChIInChI=1S/C8H13NOS/c1-3-8(10,4-2)7-5-6-9-11-7/h5-6,10H,3-4H2,1-2H3
InChIKeyCRGZFZORFHKOIG-UHFFFAOYSA-N
XLogP2.15
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-thiazol-5-yl)pentan-3-ol?
The IUPAC name of 3-(1,2-thiazol-5-yl)pentan-3-ol (CID 131059314) is 3-(1,2-thiazol-5-yl)pentan-3-ol.
What is the SMILES notation for 3-(1,2-thiazol-5-yl)pentan-3-ol?
The canonical SMILES for 3-(1,2-thiazol-5-yl)pentan-3-ol is CCC(O)(CC)c1ccns1.
What is the InChIKey of 3-(1,2-thiazol-5-yl)pentan-3-ol?
The InChIKey is CRGZFZORFHKOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-3-8(10,4-2)7-5-6-9-11-7/h5-6,10H,3-4H2,1-2H3.
What are the key properties of 3-(1,2-thiazol-5-yl)pentan-3-ol?
3-(1,2-thiazol-5-yl)pentan-3-ol has a molecular weight of 171.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-thiazol-5-yl)pentan-3-ol is sourced from PubChem (CID 131059314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).