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

C6H9NOS — CID 58767059

IUPAC(4-ethyl-1,3-thiazol-2-yl)methanol
SMILESCCc1csc(CO)n1
InChIInChI=1S/C6H9NOS/c1-2-5-4-9-6(3-8)7-5/h4,8H,2-3H2,1H3
InChIKeyQTLVQPDWGASDMC-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.20
Rot. Bonds2

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

(4-ethyl-1,3-thiazol-2-yl)methanol (PubChem CID 58767059) has the molecular formula C6H9NOS and a molecular weight of 143.21 g/mol. Its IUPAC name is (4-ethyl-1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name(4-ethyl-1,3-thiazol-2-yl)methanol
PubChem CID58767059
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC Name(4-ethyl-1,3-thiazol-2-yl)methanol
SMILESCCc1csc(CO)n1
InChIInChI=1S/C6H9NOS/c1-2-5-4-9-6(3-8)7-5/h4,8H,2-3H2,1H3
InChIKeyQTLVQPDWGASDMC-UHFFFAOYSA-N
XLogP1.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-ethyl-1,3-thiazol-2-yl)methanol?
The IUPAC name of (4-ethyl-1,3-thiazol-2-yl)methanol (CID 58767059) is (4-ethyl-1,3-thiazol-2-yl)methanol.
What is the SMILES notation for (4-ethyl-1,3-thiazol-2-yl)methanol?
The canonical SMILES for (4-ethyl-1,3-thiazol-2-yl)methanol is CCc1csc(CO)n1.
What is the InChIKey of (4-ethyl-1,3-thiazol-2-yl)methanol?
The InChIKey is QTLVQPDWGASDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS/c1-2-5-4-9-6(3-8)7-5/h4,8H,2-3H2,1H3.
What are the key properties of (4-ethyl-1,3-thiazol-2-yl)methanol?
(4-ethyl-1,3-thiazol-2-yl)methanol has a molecular weight of 143.21 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 58767059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).