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

C6H11NOS — CID 130736872

IUPAC(2R)-1-(4,5-dihydro-1,3-thiazol-2-yl)propan-2-ol
SMILESC[C@@H](O)CC1=NCCS1
InChIInChI=1S/C6H11NOS/c1-5(8)4-6-7-2-3-9-6/h5,8H,2-4H2,1H3/t5-/m1/s1
InChIKeyJTJKPUGZWLRHSX-RXMQYKEDSA-N
MW145.23 g/mol
LogP0.90
Rot. Bonds2

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

(2R)-1-(4,5-dihydro-1,3-thiazol-2-yl)propan-2-ol (PubChem CID 130736872) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is (2R)-1-(4,5-dihydro-1,3-thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4,5-dihydro-1,3-thiazol-2-yl)propan-2-ol
PubChem CID130736872
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Name(2R)-1-(4,5-dihydro-1,3-thiazol-2-yl)propan-2-ol
SMILESC[C@@H](O)CC1=NCCS1
InChIInChI=1S/C6H11NOS/c1-5(8)4-6-7-2-3-9-6/h5,8H,2-4H2,1H3/t5-/m1/s1
InChIKeyJTJKPUGZWLRHSX-RXMQYKEDSA-N
XLogP0.90
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4,5-dihydro-1,3-thiazol-2-yl)propan-2-ol?
The IUPAC name of (2R)-1-(4,5-dihydro-1,3-thiazol-2-yl)propan-2-ol (CID 130736872) is (2R)-1-(4,5-dihydro-1,3-thiazol-2-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(4,5-dihydro-1,3-thiazol-2-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(4,5-dihydro-1,3-thiazol-2-yl)propan-2-ol is C[C@@H](O)CC1=NCCS1.
What is the InChIKey of (2R)-1-(4,5-dihydro-1,3-thiazol-2-yl)propan-2-ol?
The InChIKey is JTJKPUGZWLRHSX-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11NOS/c1-5(8)4-6-7-2-3-9-6/h5,8H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of (2R)-1-(4,5-dihydro-1,3-thiazol-2-yl)propan-2-ol?
(2R)-1-(4,5-dihydro-1,3-thiazol-2-yl)propan-2-ol has a molecular weight of 145.23 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4,5-dihydro-1,3-thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 130736872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).