2-(1,3-thiazol-2-ylmethoxy)acetic acid;hydrochloride

C6H8ClNO3S — CID 167721830

IUPAC2-(1,3-thiazol-2-ylmethoxy)acetic acid;hydrochloride
SMILESCl.O=C(O)COCc1nccs1
InChIInChI=1S/C6H7NO3S.ClH/c8-6(9)4-10-3-5-7-1-2-11-5;/h1-2H,3-4H2,(H,8,9);1H
InChIKeyZBZBURGBKRDIHU-UHFFFAOYSA-N
MW209.65 g/mol
LogP1.17
Rot. Bonds4

About 2-(1,3-thiazol-2-ylmethoxy)acetic acid;hydrochloride

2-(1,3-thiazol-2-ylmethoxy)acetic acid;hydrochloride (PubChem CID 167721830) has the molecular formula C6H8ClNO3S and a molecular weight of 209.65 g/mol. Its IUPAC name is 2-(1,3-thiazol-2-ylmethoxy)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(1,3-thiazol-2-ylmethoxy)acetic acid;hydrochloride
PubChem CID167721830
Molecular FormulaC6H8ClNO3S
Molecular Weight209.65 g/mol
Exact Mass208.99
IUPAC Name2-(1,3-thiazol-2-ylmethoxy)acetic acid;hydrochloride
SMILESCl.O=C(O)COCc1nccs1
InChIInChI=1S/C6H7NO3S.ClH/c8-6(9)4-10-3-5-7-1-2-11-5;/h1-2H,3-4H2,(H,8,9);1H
InChIKeyZBZBURGBKRDIHU-UHFFFAOYSA-N
XLogP1.17
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.65
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1,3-thiazole-2-carboxylate
CID 13032471
1,3-Thiazol-2-ylmethyl acetate
CID 15111491
2-(Thiazol-2-ylmethoxy)acetic acid
CID 97627132
2-(1,3-Thiazol-2-yloxy)acetic acid
CID 19099702
Ethyl 2-(1,3-thiazol-2-yloxy)acetate
CID 22765972
2-(Thiazol-2-ylmethoxy)ethanol
CID 45121684
2-Oxoethyl 1,3-thiazole-2-carboxylate
CID 57107859
Ethyl 2-hydroxy-2-(1,3-thiazol-2-yl)propanoate
CID 64990582
(Thiazol-2-ylmethoxy)acetic acid methyl ester
CID 66783731
2-Oxo-2-[1-(1,3-thiazol-2-yl)ethoxy]acetic acid
CID 69960540
2-Imino-2-(1,3-thiazol-2-yloxy)acetic acid
CID 70530470
2-[(5-Sulfanyl-1,3-thiazol-2-yl)methoxy]acetic acid
CID 70583203

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-2-ylmethoxy)acetic acid;hydrochloride?
The IUPAC name of 2-(1,3-thiazol-2-ylmethoxy)acetic acid;hydrochloride (CID 167721830) is 2-(1,3-thiazol-2-ylmethoxy)acetic acid;hydrochloride.
What is the SMILES notation for 2-(1,3-thiazol-2-ylmethoxy)acetic acid;hydrochloride?
The canonical SMILES for 2-(1,3-thiazol-2-ylmethoxy)acetic acid;hydrochloride is Cl.O=C(O)COCc1nccs1.
What is the InChIKey of 2-(1,3-thiazol-2-ylmethoxy)acetic acid;hydrochloride?
The InChIKey is ZBZBURGBKRDIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3S.ClH/c8-6(9)4-10-3-5-7-1-2-11-5;/h1-2H,3-4H2,(H,8,9);1H.
What are the key properties of 2-(1,3-thiazol-2-ylmethoxy)acetic acid;hydrochloride?
2-(1,3-thiazol-2-ylmethoxy)acetic acid;hydrochloride has a molecular weight of 209.65 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-2-ylmethoxy)acetic acid;hydrochloride is sourced from PubChem (CID 167721830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).