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

C10H16N2O3S — CID 114360061

IUPAC2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCN(CC)c1nc(COC)c(C(=O)O)s1
InChIInChI=1S/C10H16N2O3S/c1-4-12(5-2)10-11-7(6-15-3)8(16-10)9(13)14/h4-6H2,1-3H3,(H,13,14)
InChIKeyWOEUDFHPOIYXSM-UHFFFAOYSA-N
MW244.32 g/mol
LogP1.83
Rot. Bonds6

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

2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114360061) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID114360061
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCCN(CC)c1nc(COC)c(C(=O)O)s1
InChIInChI=1S/C10H16N2O3S/c1-4-12(5-2)10-11-7(6-15-3)8(16-10)9(13)14/h4-6H2,1-3H3,(H,13,14)
InChIKeyWOEUDFHPOIYXSM-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[bis(cyclopropylmethyl)amino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509404
2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbothioamide
CID 82441798
2-[1-(dimethylamino)propan-2-yl-ethylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509465
2-(diethylamino)-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360442
2-[ethyl(propyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62764591
2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carbaldehyde
CID 107508930
2-[ethyl(2-methoxyethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765808
2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509365
2-[ethyl(2-ethylbutyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 63513767
2-[cyclopropylmethyl(ethyl)amino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 63938356
2-[(2-chlorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509361
4-(methoxymethyl)-2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 107509256

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid (CID 114360061) is 2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid is CCN(CC)c1nc(COC)c(C(=O)O)s1.
What is the InChIKey of 2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is WOEUDFHPOIYXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-4-12(5-2)10-11-7(6-15-3)8(16-10)9(13)14/h4-6H2,1-3H3,(H,13,14).
What are the key properties of 2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 244.32 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114360061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).