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

C8H13NOS — CID 79824086

IUPAC5-(1,3-thiazol-2-yl)pentan-2-ol
SMILESCC(O)CCCc1nccs1
InChIInChI=1S/C8H13NOS/c1-7(10)3-2-4-8-9-5-6-11-8/h5-7,10H,2-4H2,1H3
InChIKeyVLKFUPUFVFYNOG-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.85
Rot. Bonds4

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

5-(1,3-thiazol-2-yl)pentan-2-ol (PubChem CID 79824086) has the molecular formula C8H13NOS and a molecular weight of 171.27 g/mol. Its IUPAC name is 5-(1,3-thiazol-2-yl)pentan-2-ol.

Molecular Properties

Compound Name5-(1,3-thiazol-2-yl)pentan-2-ol
PubChem CID79824086
Molecular FormulaC8H13NOS
Molecular Weight171.27 g/mol
Exact Mass171.07
IUPAC Name5-(1,3-thiazol-2-yl)pentan-2-ol
SMILESCC(O)CCCc1nccs1
InChIInChI=1S/C8H13NOS/c1-7(10)3-2-4-8-9-5-6-11-8/h5-7,10H,2-4H2,1H3
InChIKeyVLKFUPUFVFYNOG-UHFFFAOYSA-N
XLogP1.85
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-4-(1,3-thiazol-2-yl)butan-1-amine
CID 79824082
N,2,2-trimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine
CID 79823863
4-[2-(1,3-thiazol-2-yl)ethylamino]pentan-1-ol
CID 115971769
N-ethyl-2,2-dimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine
CID 79823975
6-(1,3-thiazol-2-yl)hexan-2-one
CID 134309859
5-(4-tert-butyl-1,3-thiazol-2-yl)pentan-2-ol
CID 79818088
N,2-dimethyl-4-(1,3-thiazol-2-yl)butan-1-amine
CID 79824308
1-(1,3-thiazol-2-ylmethylamino)propan-2-ol;dihydrochloride
CID 56773666
1-(1,3-thiazol-2-yl)hexan-2-ol
CID 79824098
5-(3-bromothiophen-2-yl)pentan-2-ol
CID 64516501
2-(1,3-thiazol-2-yl)ethanol;hydrochloride
CID 173116939
2-methyl-N-[3-(1,3-thiazol-2-yl)propyl]propan-2-amine
CID 79823969

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-thiazol-2-yl)pentan-2-ol?
The IUPAC name of 5-(1,3-thiazol-2-yl)pentan-2-ol (CID 79824086) is 5-(1,3-thiazol-2-yl)pentan-2-ol.
What is the SMILES notation for 5-(1,3-thiazol-2-yl)pentan-2-ol?
The canonical SMILES for 5-(1,3-thiazol-2-yl)pentan-2-ol is CC(O)CCCc1nccs1.
What is the InChIKey of 5-(1,3-thiazol-2-yl)pentan-2-ol?
The InChIKey is VLKFUPUFVFYNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-7(10)3-2-4-8-9-5-6-11-8/h5-7,10H,2-4H2,1H3.
What are the key properties of 5-(1,3-thiazol-2-yl)pentan-2-ol?
5-(1,3-thiazol-2-yl)pentan-2-ol has a molecular weight of 171.27 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-thiazol-2-yl)pentan-2-ol is sourced from PubChem (CID 79824086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).