2-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid

C13H18N2O4S — CID 116696934

IUPAC2-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCOCCN(C(=O)c1nc(C(=O)O)cs1)C(C)C1CC1
InChIInChI=1S/C13H18N2O4S/c1-8(9-3-4-9)15(5-6-19-2)12(16)11-14-10(7-20-11)13(17)18/h7-9H,3-6H2,1-2H3,(H,17,18)
InChIKeyNEDMMPYRQXNPSF-UHFFFAOYSA-N
MW298.36 g/mol
LogP1.73
Rot. Bonds7

About 2-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid

2-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 116696934) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID116696934
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCOCCN(C(=O)c1nc(C(=O)O)cs1)C(C)C1CC1
InChIInChI=1S/C13H18N2O4S/c1-8(9-3-4-9)15(5-6-19-2)12(16)11-14-10(7-20-11)13(17)18/h7-9H,3-6H2,1-2H3,(H,17,18)
InChIKeyNEDMMPYRQXNPSF-UHFFFAOYSA-N
XLogP1.73
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[bis(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696799
6-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 103889771
2-[2-hydroxyethyl(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697449
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzamide
CID 60794981
2-[2-hydroxyethyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696918
3-bromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 60794133
2-[2-methylpropyl(propan-2-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696928
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-4-sulfanylbenzamide
CID 107026569
4,5-dibromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 112729543
N-(1-cyclopropylethyl)-3-fluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 115645950
2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696912
2-chloro-N-(1-cyclopropylethyl)-6-hydrazinyl-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 62248956

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid (CID 116696934) is 2-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid is COCCN(C(=O)c1nc(C(=O)O)cs1)C(C)C1CC1.
What is the InChIKey of 2-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is NEDMMPYRQXNPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-8(9-3-4-9)15(5-6-19-2)12(16)11-14-10(7-20-11)13(17)18/h7-9H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
2-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 298.36 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116696934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).