2-[1-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid

C13H13N5O2S — CID 103385118

IUPAC2-[1-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(Nc1nccc2c1ncn2C)c1nc(C(=O)O)cs1
InChIInChI=1S/C13H13N5O2S/c1-7(12-17-8(5-21-12)13(19)20)16-11-10-9(3-4-14-11)18(2)6-15-10/h3-7H,1-2H3,(H,14,16)(H,19,20)
InChIKeySZPXRQHOIKHKGB-UHFFFAOYSA-N
MW303.35 g/mol
LogP2.30
Rot. Bonds4

About 2-[1-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid

2-[1-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 103385118) has the molecular formula C13H13N5O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 2-[1-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID103385118
Molecular FormulaC13H13N5O2S
Molecular Weight303.35 g/mol
Exact Mass303.08
IUPAC Name2-[1-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCC(Nc1nccc2c1ncn2C)c1nc(C(=O)O)cs1
InChIInChI=1S/C13H13N5O2S/c1-7(12-17-8(5-21-12)13(19)20)16-11-10-9(3-4-14-11)18(2)6-15-10/h3-7H,1-2H3,(H,14,16)(H,19,20)
InChIKeySZPXRQHOIKHKGB-UHFFFAOYSA-N
XLogP2.30
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[1-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 103385118) is 2-[1-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[1-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[1-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid is CC(Nc1nccc2c1ncn2C)c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[1-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is SZPXRQHOIKHKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S/c1-7(12-17-8(5-21-12)13(19)20)16-11-10-9(3-4-14-11)18(2)6-15-10/h3-7H,1-2H3,(H,14,16)(H,19,20).
What are the key properties of 2-[1-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[1-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 303.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 103385118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).