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

C12H18N2O3S — CID 82431077

IUPAC3-(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
SMILESCCc1nc(N2CCOCC2)sc1CCC(=O)O
InChIInChI=1S/C12H18N2O3S/c1-2-9-10(3-4-11(15)16)18-12(13-9)14-5-7-17-8-6-14/h2-8H2,1H3,(H,15,16)
InChIKeyXZKLJLSUHAEHKA-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.56
Rot. Bonds5

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

3-(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid (PubChem CID 82431077) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 3-(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
PubChem CID82431077
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name3-(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
SMILESCCc1nc(N2CCOCC2)sc1CCC(=O)O
InChIInChI=1S/C12H18N2O3S/c1-2-9-10(3-4-11(15)16)18-12(13-9)14-5-7-17-8-6-14/h2-8H2,1H3,(H,15,16)
InChIKeyXZKLJLSUHAEHKA-UHFFFAOYSA-N
XLogP1.56
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]propanoic acid
CID 82441961
3-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
CID 82439738
3-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
CID 82438113
1-(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 62764992
2-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]acetic acid
CID 82441955
N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 62765156
N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 62765325
N-[[4-ethyl-2-(1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62967451
3-(4-ethyl-2-methyl-1,3-thiazol-5-yl)propanoic acid
CID 82428151
N-[[2-(1,4-oxazepan-4-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 55142121
3-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]propanoic acid
CID 82433351
2-morpholin-4-yl-4-propyl-1,3-thiazole-5-carbohydrazide
CID 82433411

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid?
The IUPAC name of 3-(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid (CID 82431077) is 3-(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid?
The canonical SMILES for 3-(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid is CCc1nc(N2CCOCC2)sc1CCC(=O)O.
What is the InChIKey of 3-(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid?
The InChIKey is XZKLJLSUHAEHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-2-9-10(3-4-11(15)16)18-12(13-9)14-5-7-17-8-6-14/h2-8H2,1H3,(H,15,16).
What are the key properties of 3-(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid?
3-(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid has a molecular weight of 270.35 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid is sourced from PubChem (CID 82431077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).