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

C18H22N4O3S — CID 131914678

IUPAC6-[4-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCc1nc(CC(=O)NCC2CCN(c3cccc(C(=O)O)n3)CC2)cs1
InChIInChI=1S/C18H22N4O3S/c1-12-20-14(11-26-12)9-17(23)19-10-13-5-7-22(8-6-13)16-4-2-3-15(21-16)18(24)25/h2-4,11,13H,5-10H2,1H3,(H,19,23)(H,24,25)
InChIKeyUDEDGMWMAVWYHO-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.12
Rot. Bonds6

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

6-[4-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 131914678) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 6-[4-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID131914678
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name6-[4-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCc1nc(CC(=O)NCC2CCN(c3cccc(C(=O)O)n3)CC2)cs1
InChIInChI=1S/C18H22N4O3S/c1-12-20-14(11-26-12)9-17(23)19-10-13-5-7-22(8-6-13)16-4-2-3-15(21-16)18(24)25/h2-4,11,13H,5-10H2,1H3,(H,19,23)(H,24,25)
InChIKeyUDEDGMWMAVWYHO-UHFFFAOYSA-N
XLogP2.12
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[4-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 63642384
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 51084019
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 94047838
6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 103496539
6-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 103790264
2-(4-methoxyphenyl)-N-[[(3R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]methyl]acetamide
CID 25280484
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(cyclohexylmethyl)acetamide
CID 11223125
6-[4-(2-methylpropoxy)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053337
N-[[1-(6-amino-2-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102737048
6-(4-tert-butylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053326
2-(2-methyl-1,3-thiazol-4-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 134026067
2-[2-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]acetic acid
CID 81311652

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid (CID 131914678) is 6-[4-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid is Cc1nc(CC(=O)NCC2CCN(c3cccc(C(=O)O)n3)CC2)cs1.
What is the InChIKey of 6-[4-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is UDEDGMWMAVWYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-12-20-14(11-26-12)9-17(23)19-10-13-5-7-22(8-6-13)16-4-2-3-15(21-16)18(24)25/h2-4,11,13H,5-10H2,1H3,(H,19,23)(H,24,25).
What are the key properties of 6-[4-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid?
6-[4-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 374.47 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 131914678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).