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

C9H15NOS — CID 18673000

IUPAC(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol
SMILESCCc1nc(C(C)C)c(CO)s1
InChIInChI=1S/C9H15NOS/c1-4-8-10-9(6(2)3)7(5-11)12-8/h6,11H,4-5H2,1-3H3
InChIKeyAJBSHCALQMLUSD-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.32
Rot. Bonds3

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

(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol (PubChem CID 18673000) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is (2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol
PubChem CID18673000
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol
SMILESCCc1nc(C(C)C)c(CO)s1
InChIInChI=1S/C9H15NOS/c1-4-8-10-9(6(2)3)7(5-11)12-8/h6,11H,4-5H2,1-3H3
InChIKeyAJBSHCALQMLUSD-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 (2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol?
The IUPAC name of (2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol (CID 18673000) is (2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol?
The canonical SMILES for (2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol is CCc1nc(C(C)C)c(CO)s1.
What is the InChIKey of (2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol?
The InChIKey is AJBSHCALQMLUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-4-8-10-9(6(2)3)7(5-11)12-8/h6,11H,4-5H2,1-3H3.
What are the key properties of (2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol?
(2-ethyl-4-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 (2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 18673000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).