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

C7H11NOS — CID 130801038

IUPAC3-(1,2-thiazol-5-yl)butan-2-ol
SMILESCC(O)C(C)c1ccns1
InChIInChI=1S/C7H11NOS/c1-5(6(2)9)7-3-4-8-10-7/h3-6,9H,1-2H3
InChIKeyJHBTYSSRQQGSLW-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.63
Rot. Bonds2

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

3-(1,2-thiazol-5-yl)butan-2-ol (PubChem CID 130801038) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 3-(1,2-thiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name3-(1,2-thiazol-5-yl)butan-2-ol
PubChem CID130801038
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name3-(1,2-thiazol-5-yl)butan-2-ol
SMILESCC(O)C(C)c1ccns1
InChIInChI=1S/C7H11NOS/c1-5(6(2)9)7-3-4-8-10-7/h3-6,9H,1-2H3
InChIKeyJHBTYSSRQQGSLW-UHFFFAOYSA-N
XLogP1.63
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 3-(1,2-thiazol-5-yl)butan-2-ol?
The IUPAC name of 3-(1,2-thiazol-5-yl)butan-2-ol (CID 130801038) is 3-(1,2-thiazol-5-yl)butan-2-ol.
What is the SMILES notation for 3-(1,2-thiazol-5-yl)butan-2-ol?
The canonical SMILES for 3-(1,2-thiazol-5-yl)butan-2-ol is CC(O)C(C)c1ccns1.
What is the InChIKey of 3-(1,2-thiazol-5-yl)butan-2-ol?
The InChIKey is JHBTYSSRQQGSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-5(6(2)9)7-3-4-8-10-7/h3-6,9H,1-2H3.
What are the key properties of 3-(1,2-thiazol-5-yl)butan-2-ol?
3-(1,2-thiazol-5-yl)butan-2-ol has a molecular weight of 157.24 g/mol, XLogP of 1.63, 2 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)butan-2-ol is sourced from PubChem (CID 130801038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).