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

C7H13NOS — CID 174788069

IUPAC1-(4,5-dihydro-1,3-thiazol-2-yl)butan-1-ol
SMILESCCCC(O)C1=NCCS1
InChIInChI=1S/C7H13NOS/c1-2-3-6(9)7-8-4-5-10-7/h6,9H,2-5H2,1H3
InChIKeyDAIAAOXZCZTOTG-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.29
Rot. Bonds3

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

1-(4,5-dihydro-1,3-thiazol-2-yl)butan-1-ol (PubChem CID 174788069) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is 1-(4,5-dihydro-1,3-thiazol-2-yl)butan-1-ol.

Molecular Properties

Compound Name1-(4,5-dihydro-1,3-thiazol-2-yl)butan-1-ol
PubChem CID174788069
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Name1-(4,5-dihydro-1,3-thiazol-2-yl)butan-1-ol
SMILESCCCC(O)C1=NCCS1
InChIInChI=1S/C7H13NOS/c1-2-3-6(9)7-8-4-5-10-7/h6,9H,2-5H2,1H3
InChIKeyDAIAAOXZCZTOTG-UHFFFAOYSA-N
XLogP1.29
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)butan-1-ol?
The IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)butan-1-ol (CID 174788069) is 1-(4,5-dihydro-1,3-thiazol-2-yl)butan-1-ol.
What is the SMILES notation for 1-(4,5-dihydro-1,3-thiazol-2-yl)butan-1-ol?
The canonical SMILES for 1-(4,5-dihydro-1,3-thiazol-2-yl)butan-1-ol is CCCC(O)C1=NCCS1.
What is the InChIKey of 1-(4,5-dihydro-1,3-thiazol-2-yl)butan-1-ol?
The InChIKey is DAIAAOXZCZTOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-2-3-6(9)7-8-4-5-10-7/h6,9H,2-5H2,1H3.
What are the key properties of 1-(4,5-dihydro-1,3-thiazol-2-yl)butan-1-ol?
1-(4,5-dihydro-1,3-thiazol-2-yl)butan-1-ol has a molecular weight of 159.25 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1,3-thiazol-2-yl)butan-1-ol is sourced from PubChem (CID 174788069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).