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

C12H13N3O2S — CID 115423528

IUPAC5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(NC(C)c2cccnc2)nc1C(=O)O
InChIInChI=1S/C12H13N3O2S/c1-7(9-4-3-5-13-6-9)14-12-15-10(11(16)17)8(2)18-12/h3-7H,1-2H3,(H,14,15)(H,16,17)
InChIKeyRJUQHLLEWRUKJK-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.72
Rot. Bonds4

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

5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 115423528) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID115423528
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(NC(C)c2cccnc2)nc1C(=O)O
InChIInChI=1S/C12H13N3O2S/c1-7(9-4-3-5-13-6-9)14-12-15-10(11(16)17)8(2)18-12/h3-7H,1-2H3,(H,14,15)(H,16,17)
InChIKeyRJUQHLLEWRUKJK-UHFFFAOYSA-N
XLogP2.72
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylate
CID 116526509
5-methyl-2-(1-phenylpropylamino)-1,3-thiazole-4-carboxylic acid
CID 113307049
5-acetyl-2-(1-phenylethylamino)-1,3-thiazole-4-carboxylic acid
CID 106696708
6-methyl-N-(1-pyridin-3-ylethyl)-1,3-benzothiazol-2-amine
CID 79142414
2-N-(1-pyridin-3-ylethyl)-1,3-thiazole-2,5-diamine
CID 102767611
5-methyl-2-(1-pyridin-3-ylethylamino)benzoic acid
CID 62514651
5-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167745164
4-amino-2-(propan-2-ylamino)-N-(1-pyridin-3-ylethyl)-1,3-thiazole-5-carboxamide
CID 116669916
2-chloro-6-(1-pyridin-3-ylethylamino)pyridine-4-carboxylic acid
CID 43523832
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
3-nitro-2-(1-pyridin-3-ylethylamino)benzoic acid
CID 115932167
(4S)-4-hydroxy-1-[2-methyl-5-[[(1S)-1-pyridin-3-ylethyl]amino]-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]pentan-1-one
CID 162089733

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylic acid (CID 115423528) is 5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylic acid is Cc1sc(NC(C)c2cccnc2)nc1C(=O)O.
What is the InChIKey of 5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is RJUQHLLEWRUKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-7(9-4-3-5-13-6-9)14-12-15-10(11(16)17)8(2)18-12/h3-7H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylic acid?
5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 263.32 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-pyridin-3-ylethylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 115423528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).