2-(1,3-thiazol-2-yl)butan-1-ol

C7H11NOS — CID 116987101

IUPAC2-(1,3-thiazol-2-yl)butan-1-ol
SMILESCCC(CO)c1nccs1
InChIInChI=1S/C7H11NOS/c1-2-6(5-9)7-8-3-4-10-7/h3-4,6,9H,2,5H2,1H3
InChIKeyMAHXYEZRVQNBBJ-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.63
Rot. Bonds3

About 2-(1,3-thiazol-2-yl)butan-1-ol

2-(1,3-thiazol-2-yl)butan-1-ol (PubChem CID 116987101) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-yl)butan-1-ol.

Molecular Properties

Compound Name2-(1,3-thiazol-2-yl)butan-1-ol
PubChem CID116987101
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name2-(1,3-thiazol-2-yl)butan-1-ol
SMILESCCC(CO)c1nccs1
InChIInChI=1S/C7H11NOS/c1-2-6(5-9)7-8-3-4-10-7/h3-4,6,9H,2,5H2,1H3
InChIKeyMAHXYEZRVQNBBJ-UHFFFAOYSA-N
XLogP1.63
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(1,3-thiazol-2-yl)propan-1-ol
CID 63216153
(2R)-2-[[(1S)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol
CID 96824359
(2R)-2-[[(1R)-1-(1,3-thiazol-2-yl)ethyl]amino]butan-1-ol
CID 96824361
(2S)-2-amino-2-(1,3-thiazol-2-yl)ethanol
CID 96733513
ethane;1-(1,3-thiazol-2-yl)propan-1-amine
CID 170585159
2-tetradecan-7-yl-1,3-thiazole
CID 130410551
(2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 114987181
2-(1-bromopropan-2-yl)-1,3-thiazole
CID 66470662
3-methyl-2-[1-(1,3-thiazol-2-yl)ethylamino]butan-1-ol
CID 79254662
[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574
3-[1-(1,3-thiazol-2-yl)ethylamino]propane-1,2-diol
CID 66174830
N,2-dimethyl-1-(1,3-thiazol-2-yl)butan-1-amine
CID 61330921

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-yl)butan-1-ol?
The IUPAC name of 2-(1,3-thiazol-2-yl)butan-1-ol (CID 116987101) is 2-(1,3-thiazol-2-yl)butan-1-ol.
What is the SMILES notation for 2-(1,3-thiazol-2-yl)butan-1-ol?
The canonical SMILES for 2-(1,3-thiazol-2-yl)butan-1-ol is CCC(CO)c1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-yl)butan-1-ol?
The InChIKey is MAHXYEZRVQNBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-2-6(5-9)7-8-3-4-10-7/h3-4,6,9H,2,5H2,1H3.
What are the key properties of 2-(1,3-thiazol-2-yl)butan-1-ol?
2-(1,3-thiazol-2-yl)butan-1-ol has a molecular weight of 157.24 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-yl)butan-1-ol is sourced from PubChem (CID 116987101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).