4-(1,3-thiazol-5-yl)butan-2-ol

C7H11NOS — CID 112643796

IUPAC4-(1,3-thiazol-5-yl)butan-2-ol
SMILESCC(O)CCc1cncs1
InChIInChI=1S/C7H11NOS/c1-6(9)2-3-7-4-8-5-10-7/h4-6,9H,2-3H2,1H3
InChIKeyVNMBFLXEFAZKDE-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.46
Rot. Bonds3

About 4-(1,3-thiazol-5-yl)butan-2-ol

4-(1,3-thiazol-5-yl)butan-2-ol (PubChem CID 112643796) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 4-(1,3-thiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name4-(1,3-thiazol-5-yl)butan-2-ol
PubChem CID112643796
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name4-(1,3-thiazol-5-yl)butan-2-ol
SMILESCC(O)CCc1cncs1
InChIInChI=1S/C7H11NOS/c1-6(9)2-3-7-4-8-5-10-7/h4-6,9H,2-3H2,1H3
InChIKeyVNMBFLXEFAZKDE-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-5-yl)butan-2-ol?
The IUPAC name of 4-(1,3-thiazol-5-yl)butan-2-ol (CID 112643796) is 4-(1,3-thiazol-5-yl)butan-2-ol.
What is the SMILES notation for 4-(1,3-thiazol-5-yl)butan-2-ol?
The canonical SMILES for 4-(1,3-thiazol-5-yl)butan-2-ol is CC(O)CCc1cncs1.
What is the InChIKey of 4-(1,3-thiazol-5-yl)butan-2-ol?
The InChIKey is VNMBFLXEFAZKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-6(9)2-3-7-4-8-5-10-7/h4-6,9H,2-3H2,1H3.
What are the key properties of 4-(1,3-thiazol-5-yl)butan-2-ol?
4-(1,3-thiazol-5-yl)butan-2-ol has a molecular weight of 157.24 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-5-yl)butan-2-ol is sourced from PubChem (CID 112643796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).