4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid

C12H13N3O2S — CID 81244563

IUPAC4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid
SMILESCc1csc(CCNc2ccncc2C(=O)O)n1
InChIInChI=1S/C12H13N3O2S/c1-8-7-18-11(15-8)3-5-14-10-2-4-13-6-9(10)12(16)17/h2,4,6-7H,3,5H2,1H3,(H,13,14)(H,16,17)
InChIKeyZHRZGQUYOAFPNQ-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.20
Rot. Bonds5

About 4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid

4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid (PubChem CID 81244563) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid
PubChem CID81244563
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid
SMILESCc1csc(CCNc2ccncc2C(=O)O)n1
InChIInChI=1S/C12H13N3O2S/c1-8-7-18-11(15-8)3-5-14-10-2-4-13-6-9(10)12(16)17/h2,4,6-7H,3,5H2,1H3,(H,13,14)(H,16,17)
InChIKeyZHRZGQUYOAFPNQ-UHFFFAOYSA-N
XLogP2.20
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 81244674
2-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372612
3-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
CID 118762993
4-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid
CID 81233404
methyl 2,3-difluoro-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]benzoate
CID 79834902
5-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzoic acid
CID 62516219
2,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 82118529
4-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid
CID 81244164
4-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carboxylic acid
CID 81243550
4-(4-hydroxypentylamino)pyridine-3-carboxylic acid
CID 106136496
2-[[(3-methyl-4-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380116
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridine-3-carboxylic acid
CID 106400564

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid (CID 81244563) is 4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid is Cc1csc(CCNc2ccncc2C(=O)O)n1.
What is the InChIKey of 4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid?
The InChIKey is ZHRZGQUYOAFPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-8-7-18-11(15-8)3-5-14-10-2-4-13-6-9(10)12(16)17/h2,4,6-7H,3,5H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid?
4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid has a molecular weight of 263.32 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81244563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).