(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol

C7H11NOS — CID 15361440

IUPAC(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol
SMILESCc1nc(C)c([C@H](C)O)s1
InChIInChI=1S/C7H11NOS/c1-4-7(5(2)9)10-6(3)8-4/h5,9H,1-3H3/t5-/m0/s1
InChIKeyFXZYEZVDLZPOPH-YFKPBYRVSA-N
MW157.24 g/mol
LogP1.81
Rot. Bonds1

About (1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol

(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol (PubChem CID 15361440) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is (1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol
PubChem CID15361440
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol
SMILESCc1nc(C)c([C@H](C)O)s1
InChIInChI=1S/C7H11NOS/c1-4-7(5(2)9)10-6(3)8-4/h5,9H,1-3H3/t5-/m0/s1
InChIKeyFXZYEZVDLZPOPH-YFKPBYRVSA-N
XLogP1.81
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol?
The IUPAC name of (1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol (CID 15361440) is (1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for (1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol?
The canonical SMILES for (1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol is Cc1nc(C)c([C@H](C)O)s1.
What is the InChIKey of (1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol?
The InChIKey is FXZYEZVDLZPOPH-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H11NOS/c1-4-7(5(2)9)10-6(3)8-4/h5,9H,1-3H3/t5-/m0/s1.
What are the key properties of (1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol?
(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol has a molecular weight of 157.24 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 15361440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).