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

C8H13NOS — CID 82428155

IUPAC(2,4-diethyl-1,3-thiazol-5-yl)methanol
SMILESCCc1nc(CC)c(CO)s1
InChIInChI=1S/C8H13NOS/c1-3-6-7(5-10)11-8(4-2)9-6/h10H,3-5H2,1-2H3
InChIKeyCMEBWTGTVXULPW-UHFFFAOYSA-N
MW171.26 g/mol
LogP1.76
Rot. Bonds3

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

(2,4-diethyl-1,3-thiazol-5-yl)methanol (PubChem CID 82428155) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is (2,4-diethyl-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(2,4-diethyl-1,3-thiazol-5-yl)methanol
PubChem CID82428155
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name(2,4-diethyl-1,3-thiazol-5-yl)methanol
SMILESCCc1nc(CC)c(CO)s1
InChIInChI=1S/C8H13NOS/c1-3-6-7(5-10)11-8(4-2)9-6/h10H,3-5H2,1-2H3
InChIKeyCMEBWTGTVXULPW-UHFFFAOYSA-N
XLogP1.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-diethyl-1,3-thiazol-5-yl)methanol?
The IUPAC name of (2,4-diethyl-1,3-thiazol-5-yl)methanol (CID 82428155) is (2,4-diethyl-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (2,4-diethyl-1,3-thiazol-5-yl)methanol?
The canonical SMILES for (2,4-diethyl-1,3-thiazol-5-yl)methanol is CCc1nc(CC)c(CO)s1.
What is the InChIKey of (2,4-diethyl-1,3-thiazol-5-yl)methanol?
The InChIKey is CMEBWTGTVXULPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-3-6-7(5-10)11-8(4-2)9-6/h10H,3-5H2,1-2H3.
What are the key properties of (2,4-diethyl-1,3-thiazol-5-yl)methanol?
(2,4-diethyl-1,3-thiazol-5-yl)methanol has a molecular weight of 171.26 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diethyl-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 82428155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).