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

C16H15N3O2S2 — CID 50975204

IUPAC2-[[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]pyridine-3-carboxylic acid
SMILESCN(Cc1csc(-c2cccs2)n1)Cc1ncccc1C(=O)O
InChIInChI=1S/C16H15N3O2S2/c1-19(9-13-12(16(20)21)4-2-6-17-13)8-11-10-23-15(18-11)14-5-3-7-22-14/h2-7,10H,8-9H2,1H3,(H,20,21)
InChIKeyIEDLLFPZDNQYFH-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.60
Rot. Bonds6

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

2-[[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]pyridine-3-carboxylic acid (PubChem CID 50975204) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-[[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]pyridine-3-carboxylic acid
PubChem CID50975204
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name2-[[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]pyridine-3-carboxylic acid
SMILESCN(Cc1csc(-c2cccs2)n1)Cc1ncccc1C(=O)O
InChIInChI=1S/C16H15N3O2S2/c1-19(9-13-12(16(20)21)4-2-6-17-13)8-11-10-23-15(18-11)14-5-3-7-22-14/h2-7,10H,8-9H2,1H3,(H,20,21)
InChIKeyIEDLLFPZDNQYFH-UHFFFAOYSA-N
XLogP3.60
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

2-(4-Pyridyl)-4-methylthiazole-5-carboxylic acid
CID 1483713
2-({1-[3-(Ethoxycarbonyl)-5-ethyl-2-thienyl]-2,5-dioxo-3-pyrrolidinyl}thio)nicotinic acid
CID 2939423
2,5-Dimethyl-1-[(thiophen-2-yl)methyl]-1H-pyrrole-3-carboxylic acid
CID 2736309
2-({1-[3-(Methoxycarbonyl)-4,5-dimethylthiophen-2-yl]-2,5-dioxopyrrolidin-3-yl}sulfanyl)pyridine-3-carboxylic acid
CID 2939723
2-(1,3-Thiazol-4-yl)pyridine-4-carboxylic acid
CID 96617507
3-(1,3-Thiazol-4-ylmethylamino)pyridine-4-carboxylic acid
CID 114288702
2-(2-Methyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid
CID 96608360
2-[6,6-Difluoro-3-(4-methyl-thiazol-2-yl)-4,5,6,7-tetrahydro-benzo[b]thiophen-2-ylcarbamoyl]-nicotinic acid
CID 118158775
US9604977, Example 234
CID 118158654
Thieno[2,3-b]pyridine-5-carboxylic acid
CID 14025921
[1,3]Thiazolo[5,4-b]pyridine-6-carboxylic acid
CID 21873699
2-({Cyclopropyl[(3-methyl-2-thienyl)methyl]amino}methyl)nicotinic acid
CID 50950705

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]pyridine-3-carboxylic acid (CID 50975204) is 2-[[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]pyridine-3-carboxylic acid is CN(Cc1csc(-c2cccs2)n1)Cc1ncccc1C(=O)O.
What is the InChIKey of 2-[[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]pyridine-3-carboxylic acid?
The InChIKey is IEDLLFPZDNQYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-19(9-13-12(16(20)21)4-2-6-17-13)8-11-10-23-15(18-11)14-5-3-7-22-14/h2-7,10H,8-9H2,1H3,(H,20,21).
What are the key properties of 2-[[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]pyridine-3-carboxylic acid?
2-[[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]pyridine-3-carboxylic acid has a molecular weight of 345.45 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 50975204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).