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

C8H15NOS — CID 174427211

IUPAC1-(4,5-dihydro-1,3-thiazol-2-yl)pentan-2-ol
SMILESCCCC(O)CC1=NCCS1
InChIInChI=1S/C8H15NOS/c1-2-3-7(10)6-8-9-4-5-11-8/h7,10H,2-6H2,1H3
InChIKeyMTMLBYKOXDXNKV-UHFFFAOYSA-N
MW173.28 g/mol
LogP1.68
Rot. Bonds4

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

1-(4,5-dihydro-1,3-thiazol-2-yl)pentan-2-ol (PubChem CID 174427211) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 1-(4,5-dihydro-1,3-thiazol-2-yl)pentan-2-ol.

Molecular Properties

Compound Name1-(4,5-dihydro-1,3-thiazol-2-yl)pentan-2-ol
PubChem CID174427211
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name1-(4,5-dihydro-1,3-thiazol-2-yl)pentan-2-ol
SMILESCCCC(O)CC1=NCCS1
InChIInChI=1S/C8H15NOS/c1-2-3-7(10)6-8-9-4-5-11-8/h7,10H,2-6H2,1H3
InChIKeyMTMLBYKOXDXNKV-UHFFFAOYSA-N
XLogP1.68
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 51.68
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)pentan-2-ol?
The IUPAC name of 1-(4,5-dihydro-1,3-thiazol-2-yl)pentan-2-ol (CID 174427211) is 1-(4,5-dihydro-1,3-thiazol-2-yl)pentan-2-ol.
What is the SMILES notation for 1-(4,5-dihydro-1,3-thiazol-2-yl)pentan-2-ol?
The canonical SMILES for 1-(4,5-dihydro-1,3-thiazol-2-yl)pentan-2-ol is CCCC(O)CC1=NCCS1.
What is the InChIKey of 1-(4,5-dihydro-1,3-thiazol-2-yl)pentan-2-ol?
The InChIKey is MTMLBYKOXDXNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NOS/c1-2-3-7(10)6-8-9-4-5-11-8/h7,10H,2-6H2,1H3.
What are the key properties of 1-(4,5-dihydro-1,3-thiazol-2-yl)pentan-2-ol?
1-(4,5-dihydro-1,3-thiazol-2-yl)pentan-2-ol has a molecular weight of 173.28 g/mol, XLogP of 1.68, 4 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)pentan-2-ol is sourced from PubChem (CID 174427211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).