2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetic acid

C9H12N2O3S — CID 82374896

IUPAC2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetic acid
SMILESO=C(O)Cc1cnc(N2CCOCC2)s1
InChIInChI=1S/C9H12N2O3S/c12-8(13)5-7-6-10-9(15-7)11-1-3-14-4-2-11/h6H,1-5H2,(H,12,13)
InChIKeyIOYFIKVRCFWNDT-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.61
Rot. Bonds3

About 2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetic acid

2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetic acid (PubChem CID 82374896) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetic acid
PubChem CID82374896
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetic acid
SMILESO=C(O)Cc1cnc(N2CCOCC2)s1
InChIInChI=1S/C9H12N2O3S/c12-8(13)5-7-6-10-9(15-7)11-1-3-14-4-2-11/h6H,1-5H2,(H,12,13)
InChIKeyIOYFIKVRCFWNDT-UHFFFAOYSA-N
XLogP0.61
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-morpholin-4-ylethyl)-1,3-thiazol-5-yl]acetic acid
CID 82425086
2-(1,4-oxazepan-4-yl)-1,3-thiazole-5-carboxylic acid
CID 62968494
(4S)-8-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 124751533
2-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]acetic acid
CID 82441955
(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanol
CID 62753317
4-[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]morpholine
CID 1481542
2-(1,4-oxazepan-4-yl)-1,3-thiazole-5-carbaldehyde
CID 62967092
(3S,4R)-4-(hydroxymethyl)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-ol
CID 155496457
[4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]-(oxan-4-yl)methanone
CID 25268867
[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-(4-phenylphenyl)methanone
CID 45231856
4-[5-[(2-methyl-4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]morpholine
CID 56710534
4-[5-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine
CID 74231053

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetic acid?
The IUPAC name of 2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetic acid (CID 82374896) is 2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetic acid is O=C(O)Cc1cnc(N2CCOCC2)s1.
What is the InChIKey of 2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetic acid?
The InChIKey is IOYFIKVRCFWNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c12-8(13)5-7-6-10-9(15-7)11-1-3-14-4-2-11/h6H,1-5H2,(H,12,13).
What are the key properties of 2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetic acid?
2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetic acid has a molecular weight of 228.27 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetic acid is sourced from PubChem (CID 82374896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).