N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(triazol-1-ylmethyl)piperidine-1-carboxamide

C15H23N7OS — CID 138992521

IUPACN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(triazol-1-ylmethyl)piperidine-1-carboxamide
SMILESCN(C)c1nc(CNC(=O)N2CCCC(Cn3ccnn3)C2)cs1
InChIInChI=1S/C15H23N7OS/c1-20(2)15-18-13(11-24-15)8-16-14(23)21-6-3-4-12(9-21)10-22-7-5-17-19-22/h5,7,11-12H,3-4,6,8-10H2,1-2H3,(H,16,23)
InChIKeyDETADLXRATUWLK-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.42
Rot. Bonds5

About N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(triazol-1-ylmethyl)piperidine-1-carboxamide

N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(triazol-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 138992521) has the molecular formula C15H23N7OS and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(triazol-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(triazol-1-ylmethyl)piperidine-1-carboxamide
PubChem CID138992521
Molecular FormulaC15H23N7OS
Molecular Weight349.46 g/mol
Exact Mass349.17
IUPAC NameN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(triazol-1-ylmethyl)piperidine-1-carboxamide
SMILESCN(C)c1nc(CNC(=O)N2CCCC(Cn3ccnn3)C2)cs1
InChIInChI=1S/C15H23N7OS/c1-20(2)15-18-13(11-24-15)8-16-14(23)21-6-3-4-12(9-21)10-22-7-5-17-19-22/h5,7,11-12H,3-4,6,8-10H2,1-2H3,(H,16,23)
InChIKeyDETADLXRATUWLK-UHFFFAOYSA-N
XLogP1.42
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111108857
N-(2-bicyclo[2.2.2]oct-5-enylmethyl)-3-(triazol-1-ylmethyl)piperidine-1-carboxamide
CID 128868999
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111619164
3-amino-1-[3-(triazol-1-ylmethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 120873415
(3R)-N-[[2-(acetamidomethyl)-1,3-thiazol-4-yl]methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 167984816
[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 126768311
(3S)-N-(2-methyl-3-methylsulfanylphenyl)-3-(triazol-1-ylmethyl)piperidine-1-carboxamide
CID 125136403
2-[ethyl-[3-[[3-(triazol-1-ylmethyl)piperidine-1-carbonyl]amino]cyclobutyl]amino]acetic acid
CID 122026126
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[3-(triazol-1-yl)propyl]piperidine-1-carboxamide
CID 132971404
N-[(1-acetylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide
CID 119075119
5-methyl-5-[3-(triazol-1-ylmethyl)piperidine-1-carbonyl]piperidin-2-one
CID 167786993
(2R)-1-acetyl-N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]piperidine-2-carboxamide
CID 124569412

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(triazol-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(triazol-1-ylmethyl)piperidine-1-carboxamide (CID 138992521) is N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(triazol-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(triazol-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(triazol-1-ylmethyl)piperidine-1-carboxamide is CN(C)c1nc(CNC(=O)N2CCCC(Cn3ccnn3)C2)cs1.
What is the InChIKey of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(triazol-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is DETADLXRATUWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7OS/c1-20(2)15-18-13(11-24-15)8-16-14(23)21-6-3-4-12(9-21)10-22-7-5-17-19-22/h5,7,11-12H,3-4,6,8-10H2,1-2H3,(H,16,23).
What are the key properties of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(triazol-1-ylmethyl)piperidine-1-carboxamide?
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(triazol-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(triazol-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 138992521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).