acetic acid;2-(2-methyl-1,3-thiazol-5-yl)ethanol

C8H13NO3S — CID 71295057

IUPACacetic acid;2-(2-methyl-1,3-thiazol-5-yl)ethanol
SMILESCC(=O)O.Cc1ncc(CCO)s1
InChIInChI=1S/C6H9NOS.C2H4O2/c1-5-7-4-6(9-5)2-3-8;1-2(3)4/h4,8H,2-3H2,1H3;1H3,(H,3,4)
InChIKeyLWSPMYRMJNPFQO-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.08
Rot. Bonds2

About acetic acid;2-(2-methyl-1,3-thiazol-5-yl)ethanol

acetic acid;2-(2-methyl-1,3-thiazol-5-yl)ethanol (PubChem CID 71295057) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is acetic acid;2-(2-methyl-1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Nameacetic acid;2-(2-methyl-1,3-thiazol-5-yl)ethanol
PubChem CID71295057
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Nameacetic acid;2-(2-methyl-1,3-thiazol-5-yl)ethanol
SMILESCC(=O)O.Cc1ncc(CCO)s1
InChIInChI=1S/C6H9NOS.C2H4O2/c1-5-7-4-6(9-5)2-3-8;1-2(3)4/h4,8H,2-3H2,1H3;1H3,(H,3,4)
InChIKeyLWSPMYRMJNPFQO-UHFFFAOYSA-N
XLogP1.08
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Methyl-1,3-thiazol-5-yl)acetic acid
CID 6852046
5-Thiazoleacetic acid
CID 349439
2-(1,3-Thiazol-5-yl)ethan-1-ol
CID 11389596
2-(2-Methyl-thiazol-5-yl)-ethanol
CID 529638
2-(1,3-Thiazol-5-yl)propanoic acid
CID 57471701
2-(2-Bromo-1,3-thiazol-5-yl)ethan-1-ol
CID 68557594
(5-Ethyl-1,3-thiazol-2-yl)methanol
CID 62924313
2-(2-Chloro-1,3-thiazol-5-yl)ethan-1-ol
CID 71721295
5-(2,2-Dimethoxyethyl)-2-methyl-1,3-thiazole
CID 138987761
Ethyl 2-(thiazol-5-yl)acetate
CID 20358489
Ethyl (2-propyl-1,3-thiazol-5-yl)acetate
CID 54320013
Ethyl [2-(methylsulfanyl)-1,3-thiazol-5-yl]acetate
CID 71426524

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(2-methyl-1,3-thiazol-5-yl)ethanol?
The IUPAC name of acetic acid;2-(2-methyl-1,3-thiazol-5-yl)ethanol (CID 71295057) is acetic acid;2-(2-methyl-1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for acetic acid;2-(2-methyl-1,3-thiazol-5-yl)ethanol?
The canonical SMILES for acetic acid;2-(2-methyl-1,3-thiazol-5-yl)ethanol is CC(=O)O.Cc1ncc(CCO)s1.
What is the InChIKey of acetic acid;2-(2-methyl-1,3-thiazol-5-yl)ethanol?
The InChIKey is LWSPMYRMJNPFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS.C2H4O2/c1-5-7-4-6(9-5)2-3-8;1-2(3)4/h4,8H,2-3H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-(2-methyl-1,3-thiazol-5-yl)ethanol?
acetic acid;2-(2-methyl-1,3-thiazol-5-yl)ethanol has a molecular weight of 203.26 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(2-methyl-1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 71295057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).