4-(methoxymethyl)-2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid

C13H20N2O4S — CID 114360099

IUPAC4-(methoxymethyl)-2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCCN1CCOC(c2nc(COC)c(C(=O)O)s2)C1
InChIInChI=1S/C13H20N2O4S/c1-3-4-15-5-6-19-10(7-15)12-14-9(8-18-2)11(20-12)13(16)17/h10H,3-8H2,1-2H3,(H,16,17)
InChIKeyVWMCSIHWEMPBRT-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.77
Rot. Bonds6

About 4-(methoxymethyl)-2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid

4-(methoxymethyl)-2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114360099) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(methoxymethyl)-2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID114360099
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name4-(methoxymethyl)-2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
SMILESCCCN1CCOC(c2nc(COC)c(C(=O)O)s2)C1
InChIInChI=1S/C13H20N2O4S/c1-3-4-15-5-6-19-10(7-15)12-14-9(8-18-2)11(20-12)13(16)17/h10H,3-8H2,1-2H3,(H,16,17)
InChIKeyVWMCSIHWEMPBRT-UHFFFAOYSA-N
XLogP1.77
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethylmorpholin-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359699
N-[[2-(4-ethylmorpholin-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366231
2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
CID 79668919
4-cyclopropyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid
CID 114360273
ethyl 5-acetyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazole-4-carboxylate
CID 107376454
2-cyclohexyl-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360064
4-ethyl-2-(1,4-oxathian-2-yl)-1,3-thiazole-5-carboxylic acid
CID 104838251
2-[2-(azepan-1-yl)ethyl]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 82227659
2-(2,6-dimethylmorpholin-4-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509221
2-(4-propylmorpholin-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 79657410
1,1,1-trifluoro-3-[3-(4-propylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 79664676
4-(methoxymethyl)-2-(oxolan-2-yl)-1,3-thiazole-5-carbothioamide
CID 82440935

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(methoxymethyl)-2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid (CID 114360099) is 4-(methoxymethyl)-2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(methoxymethyl)-2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(methoxymethyl)-2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid is CCCN1CCOC(c2nc(COC)c(C(=O)O)s2)C1.
What is the InChIKey of 4-(methoxymethyl)-2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is VWMCSIHWEMPBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-3-4-15-5-6-19-10(7-15)12-14-9(8-18-2)11(20-12)13(16)17/h10H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 4-(methoxymethyl)-2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid?
4-(methoxymethyl)-2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 300.38 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-(4-propylmorpholin-2-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114360099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).