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

C11H19NOS — CID 163467504

IUPAC2-(4-ethyl-5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol
SMILESCCc1nc(C(C)(C)O)sc1C(C)C
InChIInChI=1S/C11H19NOS/c1-6-8-9(7(2)3)14-10(12-8)11(4,5)13/h7,13H,6H2,1-5H3
InChIKeyBTVMEJDXONBWCD-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.06
Rot. Bonds3

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

2-(4-ethyl-5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol (PubChem CID 163467504) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-(4-ethyl-5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-ethyl-5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol
PubChem CID163467504
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name2-(4-ethyl-5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol
SMILESCCc1nc(C(C)(C)O)sc1C(C)C
InChIInChI=1S/C11H19NOS/c1-6-8-9(7(2)3)14-10(12-8)11(4,5)13/h7,13H,6H2,1-5H3
InChIKeyBTVMEJDXONBWCD-UHFFFAOYSA-N
XLogP3.06
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol?
The IUPAC name of 2-(4-ethyl-5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol (CID 163467504) is 2-(4-ethyl-5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol.
What is the SMILES notation for 2-(4-ethyl-5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol?
The canonical SMILES for 2-(4-ethyl-5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol is CCc1nc(C(C)(C)O)sc1C(C)C.
What is the InChIKey of 2-(4-ethyl-5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol?
The InChIKey is BTVMEJDXONBWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-6-8-9(7(2)3)14-10(12-8)11(4,5)13/h7,13H,6H2,1-5H3.
What are the key properties of 2-(4-ethyl-5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol?
2-(4-ethyl-5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol has a molecular weight of 213.35 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-5-propan-2-yl-1,3-thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 163467504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).