6-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]pyridine-2-carboxylic acid

C14H17N3O2S — CID 122569179

IUPAC6-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCc1ncsc1CCN(C)Cc1cccc(C(=O)O)n1
InChIInChI=1S/C14H17N3O2S/c1-10-13(20-9-15-10)6-7-17(2)8-11-4-3-5-12(16-11)14(18)19/h3-5,9H,6-8H2,1-2H3,(H,18,19)
InChIKeyACFFXKQIBVEDDF-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.22
Rot. Bonds6

About 6-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]pyridine-2-carboxylic acid

6-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]pyridine-2-carboxylic acid (PubChem CID 122569179) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 6-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]pyridine-2-carboxylic acid
PubChem CID122569179
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name6-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]pyridine-2-carboxylic acid
SMILESCc1ncsc1CCN(C)Cc1cccc(C(=O)O)n1
InChIInChI=1S/C14H17N3O2S/c1-10-13(20-9-15-10)6-7-17(2)8-11-4-3-5-12(16-11)14(18)19/h3-5,9H,6-8H2,1-2H3,(H,18,19)
InChIKeyACFFXKQIBVEDDF-UHFFFAOYSA-N
XLogP2.22
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]pyridine-2-carboxylic acid (CID 122569179) is 6-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]pyridine-2-carboxylic acid is Cc1ncsc1CCN(C)Cc1cccc(C(=O)O)n1.
What is the InChIKey of 6-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]pyridine-2-carboxylic acid?
The InChIKey is ACFFXKQIBVEDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-13(20-9-15-10)6-7-17(2)8-11-4-3-5-12(16-11)14(18)19/h3-5,9H,6-8H2,1-2H3,(H,18,19).
What are the key properties of 6-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]pyridine-2-carboxylic acid?
6-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]pyridine-2-carboxylic acid has a molecular weight of 291.38 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122569179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).