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

C12H13N3O2S — CID 80569601

IUPAC2-[ethyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCCN(Cc1ccccn1)c1nc(C(=O)O)cs1
InChIInChI=1S/C12H13N3O2S/c1-2-15(7-9-5-3-4-6-13-9)12-14-10(8-18-12)11(16)17/h3-6,8H,2,7H2,1H3,(H,16,17)
InChIKeyFFNMDXXAGJFYMN-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.26
Rot. Bonds5

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

2-[ethyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 80569601) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[ethyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid
PubChem CID80569601
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name2-[ethyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCCN(Cc1ccccn1)c1nc(C(=O)O)cs1
InChIInChI=1S/C12H13N3O2S/c1-2-15(7-9-5-3-4-6-13-9)12-14-10(8-18-12)11(16)17/h3-6,8H,2,7H2,1H3,(H,16,17)
InChIKeyFFNMDXXAGJFYMN-UHFFFAOYSA-N
XLogP2.26
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568359
1-[2-[benzyl(ethyl)amino]-1,3-thiazol-4-yl]ethanone
CID 64542419
ethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 80568795
osmium;pyridine-2-carboxylic acid;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 171575278
2-[(N-ethylanilino)methyl]-1,3-thiazole-4-carboxylic acid
CID 39160028
N-ethyl-4,6-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 133404102
3-bromo-5-[ethyl(pyridin-2-ylmethyl)amino]benzoic acid
CID 102823195
3-[2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486329
2-(1-aminoethyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66389821
2-[bis(2-methylpropyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569265
1-[2-[ethyl(pyridin-2-ylmethyl)amino]-3-pyridinyl]ethanone
CID 114055599
5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 81439693

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[ethyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid (CID 80569601) is 2-[ethyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[ethyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[ethyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid is CCN(Cc1ccccn1)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[ethyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is FFNMDXXAGJFYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-2-15(7-9-5-3-4-6-13-9)12-14-10(8-18-12)11(16)17/h3-6,8H,2,7H2,1H3,(H,16,17).
What are the key properties of 2-[ethyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid?
2-[ethyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 263.32 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 80569601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).