2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid

C13H20N2O3S — CID 114359699

IUPAC2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(C2CN(CC)CCO2)sc1C(=O)O
InChIInChI=1S/C13H20N2O3S/c1-3-5-9-11(13(16)17)19-12(14-9)10-8-15(4-2)6-7-18-10/h10H,3-8H2,1-2H3,(H,16,17)
InChIKeyFSHORCILEVLVQX-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.19
Rot. Bonds5

About 2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid

2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid (PubChem CID 114359699) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
PubChem CID114359699
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
SMILESCCCc1nc(C2CN(CC)CCO2)sc1C(=O)O
InChIInChI=1S/C13H20N2O3S/c1-3-5-9-11(13(16)17)19-12(14-9)10-8-15(4-2)6-7-18-10/h10H,3-8H2,1-2H3,(H,16,17)
InChIKeyFSHORCILEVLVQX-UHFFFAOYSA-N
XLogP2.19
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
CID 114360273
4-(methoxymethyl)-2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
CID 114360099
N-[[2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114364019
ethyl 5-acetyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-4-carboxylate
CID 107376454
N-[[2-(4-ethylmorpholin-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366231
N-[[2-(4-ethylmorpholin-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 114365079
N-[[4-tert-butyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114362634
4-ethyl-2-(1,4-oxathian-2-yl)-1,3-thiazole-5-carboxylic acid
CID 104838251
2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
CID 79668919
N-[[4-ethyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841682
2-cyclooctyl-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359658
[2-(oxolan-2-yl)-4-propyl-1,3-thiazol-5-yl]-piperazin-1-ylmethanone
CID 82432380

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid (CID 114359699) is 2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid is CCCc1nc(C2CN(CC)CCO2)sc1C(=O)O.
What is the InChIKey of 2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is FSHORCILEVLVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-3-5-9-11(13(16)17)19-12(14-9)10-8-15(4-2)6-7-18-10/h10H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid?
2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 284.38 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114359699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).