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

C9H15NOS — CID 69109180

IUPAC(4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)methanol
SMILESCCc1nc(C(C)C)sc1CO
InChIInChI=1S/C9H15NOS/c1-4-7-8(5-11)12-9(10-7)6(2)3/h6,11H,4-5H2,1-3H3
InChIKeyPXLVBGVAJBEQMH-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.32
Rot. Bonds3

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

(4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)methanol (PubChem CID 69109180) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is (4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)methanol
PubChem CID69109180
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name(4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)methanol
SMILESCCc1nc(C(C)C)sc1CO
InChIInChI=1S/C9H15NOS/c1-4-7-8(5-11)12-9(10-7)6(2)3/h6,11H,4-5H2,1-3H3
InChIKeyPXLVBGVAJBEQMH-UHFFFAOYSA-N
XLogP2.32
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)methanol?
The IUPAC name of (4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)methanol (CID 69109180) is (4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)methanol?
The canonical SMILES for (4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)methanol is CCc1nc(C(C)C)sc1CO.
What is the InChIKey of (4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)methanol?
The InChIKey is PXLVBGVAJBEQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-4-7-8(5-11)12-9(10-7)6(2)3/h6,11H,4-5H2,1-3H3.
What are the key properties of (4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)methanol?
(4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)methanol has a molecular weight of 185.29 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-2-propan-2-yl-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 69109180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).