1-(2-propan-2-yl-1,3-thiazol-4-yl)ethanol

C8H13NOS — CID 18758937

IUPAC1-(2-propan-2-yl-1,3-thiazol-4-yl)ethanol
SMILESCC(C)c1nc(C(C)O)cs1
InChIInChI=1S/C8H13NOS/c1-5(2)8-9-7(4-11-8)6(3)10/h4-6,10H,1-3H3
InChIKeyMIIVKQKSNYAOQD-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.32
Rot. Bonds2

About 1-(2-propan-2-yl-1,3-thiazol-4-yl)ethanol

1-(2-propan-2-yl-1,3-thiazol-4-yl)ethanol (PubChem CID 18758937) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 1-(2-propan-2-yl-1,3-thiazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(2-propan-2-yl-1,3-thiazol-4-yl)ethanol
PubChem CID18758937
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name1-(2-propan-2-yl-1,3-thiazol-4-yl)ethanol
SMILESCC(C)c1nc(C(C)O)cs1
InChIInChI=1S/C8H13NOS/c1-5(2)8-9-7(4-11-8)6(3)10/h4-6,10H,1-3H3
InChIKeyMIIVKQKSNYAOQD-UHFFFAOYSA-N
XLogP2.32
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yl-1,3-thiazol-4-yl)ethanol?
The IUPAC name of 1-(2-propan-2-yl-1,3-thiazol-4-yl)ethanol (CID 18758937) is 1-(2-propan-2-yl-1,3-thiazol-4-yl)ethanol.
What is the SMILES notation for 1-(2-propan-2-yl-1,3-thiazol-4-yl)ethanol?
The canonical SMILES for 1-(2-propan-2-yl-1,3-thiazol-4-yl)ethanol is CC(C)c1nc(C(C)O)cs1.
What is the InChIKey of 1-(2-propan-2-yl-1,3-thiazol-4-yl)ethanol?
The InChIKey is MIIVKQKSNYAOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-5(2)8-9-7(4-11-8)6(3)10/h4-6,10H,1-3H3.
What are the key properties of 1-(2-propan-2-yl-1,3-thiazol-4-yl)ethanol?
1-(2-propan-2-yl-1,3-thiazol-4-yl)ethanol has a molecular weight of 171.26 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yl-1,3-thiazol-4-yl)ethanol is sourced from PubChem (CID 18758937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).