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

C13H18N2O3S — CID 114360273

IUPAC4-cyclopropyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCN1CCOC(c2nc(C3CC3)c(C(=O)O)s2)C1
InChIInChI=1S/C13H18N2O3S/c1-2-15-5-6-18-9(7-15)12-14-10(8-3-4-8)11(19-12)13(16)17/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyLXXCGCMIMHDAPI-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.11
Rot. Bonds4

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

4-cyclopropyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114360273) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 4-cyclopropyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID114360273
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name4-cyclopropyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCN1CCOC(c2nc(C3CC3)c(C(=O)O)s2)C1
InChIInChI=1S/C13H18N2O3S/c1-2-15-5-6-18-9(7-15)12-14-10(8-3-4-8)11(19-12)13(16)17/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyLXXCGCMIMHDAPI-UHFFFAOYSA-N
XLogP2.11
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359699
[4-cyclopropyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazol-5-yl]methanamine
CID 114361926
ethyl 5-acetyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-4-carboxylate
CID 107376454
4-(methoxymethyl)-2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
CID 114360099
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
2-(1-ethylpiperidin-3-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 91811972
N-[[2-(4-ethylmorpholin-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366231
2-(4-tert-butylcyclohexyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 114360204
2-cyclopropyl-4-(oxolan-3-yl)-1,3-thiazole-5-carboxylic acid
CID 115043101
4-cyclopropyl-2-(4-propylmorpholin-2-yl)pyrimidine-5-carboxylic acid
CID 79664457
4-cyclopropyl-2-propyl-1,3-thiazole-5-carboxylic acid
CID 82226918

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid (CID 114360273) is 4-cyclopropyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid is CCN1CCOC(c2nc(C3CC3)c(C(=O)O)s2)C1.
What is the InChIKey of 4-cyclopropyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is LXXCGCMIMHDAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-15-5-6-18-9(7-15)12-14-10(8-3-4-8)11(19-12)13(16)17/h8-9H,2-7H2,1H3,(H,16,17).
What are the key properties of 4-cyclopropyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 282.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114360273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).