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

C8H13NO2S — CID 91614591

IUPAC(2-methyl-4-propoxy-1,3-thiazol-5-yl)methanol
SMILESCCCOc1nc(C)sc1CO
InChIInChI=1S/C8H13NO2S/c1-3-4-11-8-7(5-10)12-6(2)9-8/h10H,3-5H2,1-2H3
InChIKeyIHHUZNHQTIOHMF-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.73
Rot. Bonds4

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

(2-methyl-4-propoxy-1,3-thiazol-5-yl)methanol (PubChem CID 91614591) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is (2-methyl-4-propoxy-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(2-methyl-4-propoxy-1,3-thiazol-5-yl)methanol
PubChem CID91614591
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC Name(2-methyl-4-propoxy-1,3-thiazol-5-yl)methanol
SMILESCCCOc1nc(C)sc1CO
InChIInChI=1S/C8H13NO2S/c1-3-4-11-8-7(5-10)12-6(2)9-8/h10H,3-5H2,1-2H3
InChIKeyIHHUZNHQTIOHMF-UHFFFAOYSA-N
XLogP1.73
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-propoxy-1,3-thiazol-5-yl)methanol?
The IUPAC name of (2-methyl-4-propoxy-1,3-thiazol-5-yl)methanol (CID 91614591) is (2-methyl-4-propoxy-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (2-methyl-4-propoxy-1,3-thiazol-5-yl)methanol?
The canonical SMILES for (2-methyl-4-propoxy-1,3-thiazol-5-yl)methanol is CCCOc1nc(C)sc1CO.
What is the InChIKey of (2-methyl-4-propoxy-1,3-thiazol-5-yl)methanol?
The InChIKey is IHHUZNHQTIOHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-3-4-11-8-7(5-10)12-6(2)9-8/h10H,3-5H2,1-2H3.
What are the key properties of (2-methyl-4-propoxy-1,3-thiazol-5-yl)methanol?
(2-methyl-4-propoxy-1,3-thiazol-5-yl)methanol has a molecular weight of 187.26 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-propoxy-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 91614591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).