N-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide

C16H18N6OS — CID 131948304

IUPACN-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCCN(c2nnc3ccccn23)C1)c1cscn1
InChIInChI=1S/C16H18N6OS/c23-15(13-10-24-11-18-13)17-8-12-4-3-6-21(9-12)16-20-19-14-5-1-2-7-22(14)16/h1-2,5,7,10-12H,3-4,6,8-9H2,(H,17,23)
InChIKeyDXESEMNKVZPBHV-UHFFFAOYSA-N
MW342.43 g/mol
LogP1.83
Rot. Bonds4

About N-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide

N-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 131948304) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is N-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID131948304
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC NameN-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCC1CCCN(c2nnc3ccccn23)C1)c1cscn1
InChIInChI=1S/C16H18N6OS/c23-15(13-10-24-11-18-13)17-8-12-4-3-6-21(9-12)16-20-19-14-5-1-2-7-22(14)16/h1-2,5,7,10-12H,3-4,6,8-9H2,(H,17,23)
InChIKeyDXESEMNKVZPBHV-UHFFFAOYSA-N
XLogP1.83
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 131906673
N-[(1-methylpiperidin-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 63049614
N-[[(3R)-1-(3-fluoro-4-pyridinyl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 164636058
N-(cyclohexylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-4-carboxamide
CID 53203059
[1-(1,3-thiazole-4-carbonyl)piperidin-3-yl]methylurea
CID 55142865
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 63048022
(3S)-N-[(2-fluorophenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95114585
(3S)-N-[(3-methylphenyl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95114823
(3S)-N-(2-thiophen-2-ylethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-3-carboxamide
CID 95114598
4-[(1,3-thiazole-4-carbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79526408
1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 53203178
3-cyclopentyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]propan-1-one
CID 53203453

Frequently Asked Questions

What is the IUPAC name of N-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide (CID 131948304) is N-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide is O=C(NCC1CCCN(c2nnc3ccccn23)C1)c1cscn1.
What is the InChIKey of N-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DXESEMNKVZPBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c23-15(13-10-24-11-18-13)17-8-12-4-3-6-21(9-12)16-20-19-14-5-1-2-7-22(14)16/h1-2,5,7,10-12H,3-4,6,8-9H2,(H,17,23).
What are the key properties of N-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide?
N-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 342.43 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-3-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 131948304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).