2-[ethyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid

C11H12N2O2S2 — CID 80568359

IUPAC2-[ethyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCCN(Cc1cccs1)c1nc(C(=O)O)cs1
InChIInChI=1S/C11H12N2O2S2/c1-2-13(6-8-4-3-5-16-8)11-12-9(7-17-11)10(14)15/h3-5,7H,2,6H2,1H3,(H,14,15)
InChIKeyKJNGTJHZIWULLX-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.93
Rot. Bonds5

About 2-[ethyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid

2-[ethyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 80568359) has the molecular formula C11H12N2O2S2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[ethyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid
PubChem CID80568359
Molecular FormulaC11H12N2O2S2
Molecular Weight268.36 g/mol
Exact Mass268.03
IUPAC Name2-[ethyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCCN(Cc1cccs1)c1nc(C(=O)O)cs1
InChIInChI=1S/C11H12N2O2S2/c1-2-13(6-8-4-3-5-16-8)11-12-9(7-17-11)10(14)15/h3-5,7H,2,6H2,1H3,(H,14,15)
InChIKeyKJNGTJHZIWULLX-UHFFFAOYSA-N
XLogP2.93
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-aminoethyl)-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 64542947
2-[ethyl(thiophen-2-ylmethyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83182104
6-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 61437390
3-[ethyl(thiophen-2-ylmethyl)amino]-5,6-dimethylpyridazine-4-carboxylic acid
CID 62701009
ethyl 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate
CID 80568405
2-[(N-ethylanilino)methyl]-1,3-thiazole-4-carboxylic acid
CID 39160028
5-[2-(diethylamino)ethyl-(thiophen-2-ylmethyl)amino]pyrazine-2-carboxylic acid
CID 122054307
2-[bis(2-methylpropyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569265
4-[ethyl(thiophen-2-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730228
ethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 80568795
ethyl 2-[ethyl(furan-2-ylmethyl)amino]-1,3-thiazole-4-carboxylate
CID 80568223
3-chloro-4-[ethyl(thiophen-2-ylmethyl)amino]benzoic acid
CID 55181040

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[ethyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid (CID 80568359) is 2-[ethyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[ethyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[ethyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid is CCN(Cc1cccs1)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[ethyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is KJNGTJHZIWULLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S2/c1-2-13(6-8-4-3-5-16-8)11-12-9(7-17-11)10(14)15/h3-5,7H,2,6H2,1H3,(H,14,15).
What are the key properties of 2-[ethyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid?
2-[ethyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 80568359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).