5-(1-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylic acid

C11H11N3O2S — CID 64628864

IUPAC5-(1-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylic acid
SMILESCC(Nc1scnc1C(=O)O)c1ccccn1
InChIInChI=1S/C11H11N3O2S/c1-7(8-4-2-3-5-12-8)14-10-9(11(15)16)13-6-17-10/h2-7,14H,1H3,(H,15,16)
InChIKeyGYSFZMLHQVBRBJ-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.41
Rot. Bonds4

About 5-(1-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylic acid

5-(1-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 64628864) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 5-(1-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(1-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID64628864
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name5-(1-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylic acid
SMILESCC(Nc1scnc1C(=O)O)c1ccccn1
InChIInChI=1S/C11H11N3O2S/c1-7(8-4-2-3-5-12-8)14-10-9(11(15)16)13-6-17-10/h2-7,14H,1H3,(H,15,16)
InChIKeyGYSFZMLHQVBRBJ-UHFFFAOYSA-N
XLogP2.41
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]butanoic acid
CID 103258388
3-methyl-2-(1-pyridin-2-ylethylamino)benzoic acid
CID 107111886
2-chloro-N-(1-pyridin-2-ylethyl)propanamide
CID 43523379
3-chloro-4-(1-pyridin-2-ylethylamino)benzoic acid
CID 63086633
2,4-difluoro-5-(1-pyridin-2-ylethylamino)benzoic acid
CID 43737120
N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 63037034
4-(1-pyridin-2-ylethylamino)phenol
CID 43742707
N-[(1R)-1-pyridin-2-ylethyl]hydroxylamine
CID 51441798
3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid
CID 81406743
N-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanamide
CID 81407253
N-[3-(1-pyridin-2-ylethylamino)phenyl]acetamide
CID 43193722
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331

Frequently Asked Questions

What is the IUPAC name of 5-(1-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(1-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylic acid (CID 64628864) is 5-(1-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(1-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(1-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylic acid is CC(Nc1scnc1C(=O)O)c1ccccn1.
What is the InChIKey of 5-(1-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is GYSFZMLHQVBRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-7(8-4-2-3-5-12-8)14-10-9(11(15)16)13-6-17-10/h2-7,14H,1H3,(H,15,16).
What are the key properties of 5-(1-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylic acid?
5-(1-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 249.30 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-pyridin-2-ylethylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64628864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).