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

C9H14N2O2S — CID 70211359

IUPAC2-[(dimethylamino)methyl]-5-ethyl-1,3-thiazole-4-carboxylic acid
SMILESCCc1sc(CN(C)C)nc1C(=O)O
InChIInChI=1S/C9H14N2O2S/c1-4-6-8(9(12)13)10-7(14-6)5-11(2)3/h4-5H2,1-3H3,(H,12,13)
InChIKeyGJEQJAVWPAIPCW-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.47
Rot. Bonds4

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

2-[(dimethylamino)methyl]-5-ethyl-1,3-thiazole-4-carboxylic acid (PubChem CID 70211359) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-5-ethyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-5-ethyl-1,3-thiazole-4-carboxylic acid
PubChem CID70211359
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-[(dimethylamino)methyl]-5-ethyl-1,3-thiazole-4-carboxylic acid
SMILESCCc1sc(CN(C)C)nc1C(=O)O
InChIInChI=1S/C9H14N2O2S/c1-4-6-8(9(12)13)10-7(14-6)5-11(2)3/h4-5H2,1-3H3,(H,12,13)
InChIKeyGJEQJAVWPAIPCW-UHFFFAOYSA-N
XLogP1.47
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-5-ethyl-1,3-thiazole-4-carboxylic acid
CID 83531807
5-[[bis(prop-2-enyl)amino]methyl]-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 82069098
5-[[bis(2-methoxyethyl)amino]methyl]-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 82069049
5-(diethylaminomethyl)-2-propyl-1,3-thiazole-4-carboxylic acid
CID 82069110
2-(2-bromoethenyl)-5-ethyl-1,3-thiazole-4-carboxylic acid
CID 91212946
5-ethyl-2-(2-phenoxyethyl)-1,3-thiazole-4-carboxylic acid
CID 117098876
2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82437537
ethyl 2-[(dimethylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylate;oxalic acid
CID 166597361
5-[[butyl(methyl)amino]methyl]-2-(2-methoxyethyl)-1,3-thiazole-4-carboxylic acid
CID 82069158
methyl 2-[(dimethylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 115422814
5-[(dimethylamino)methyl]-2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 82069146
5-ethyl-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid
CID 117098878

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-5-ethyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(dimethylamino)methyl]-5-ethyl-1,3-thiazole-4-carboxylic acid (CID 70211359) is 2-[(dimethylamino)methyl]-5-ethyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(dimethylamino)methyl]-5-ethyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(dimethylamino)methyl]-5-ethyl-1,3-thiazole-4-carboxylic acid is CCc1sc(CN(C)C)nc1C(=O)O.
What is the InChIKey of 2-[(dimethylamino)methyl]-5-ethyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is GJEQJAVWPAIPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-4-6-8(9(12)13)10-7(14-6)5-11(2)3/h4-5H2,1-3H3,(H,12,13).
What are the key properties of 2-[(dimethylamino)methyl]-5-ethyl-1,3-thiazole-4-carboxylic acid?
2-[(dimethylamino)methyl]-5-ethyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 214.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-5-ethyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 70211359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).