2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid

C10H16N2O3S — CID 62765808

IUPAC2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCN(CCOC)c1nc(C)c(C(=O)O)s1
InChIInChI=1S/C10H16N2O3S/c1-4-12(5-6-15-3)10-11-7(2)8(16-10)9(13)14/h4-6H2,1-3H3,(H,13,14)
InChIKeyUYMLQAKDFPLIPV-UHFFFAOYSA-N
MW244.32 g/mol
LogP1.62
Rot. Bonds6

About 2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid

2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 62765808) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID62765808
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCCN(CCOC)c1nc(C)c(C(=O)O)s1
InChIInChI=1S/C10H16N2O3S/c1-4-12(5-6-15-3)10-11-7(2)8(16-10)9(13)14/h4-6H2,1-3H3,(H,13,14)
InChIKeyUYMLQAKDFPLIPV-UHFFFAOYSA-N
XLogP1.62
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62750809
4-tert-butyl-2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 55112848
1-[2-[2-ethoxyethyl(ethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 63690212
2-[benzyl(ethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62764764
2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360061
2-[ethyl(2-methoxyethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62754860
4-amino-2-(diethylamino)-N-(2-methoxyethyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116663278
2-[ethyl(oxolan-2-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765974
2-[ethyl(propyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62764591
1-[2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62750474
2-[2-cyanoethyl(2-methylpropyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570410
methyl 2-[cyclopropyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 80569715

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid (CID 62765808) is 2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid is CCN(CCOC)c1nc(C)c(C(=O)O)s1.
What is the InChIKey of 2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is UYMLQAKDFPLIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-4-12(5-6-15-3)10-11-7(2)8(16-10)9(13)14/h4-6H2,1-3H3,(H,13,14).
What are the key properties of 2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid?
2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 244.32 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62765808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).