N,N-diethyl-1-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]triazole-4-carboxamide

C18H26N6O2S — CID 45234346

IUPACN,N-diethyl-1-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(CC2CCCN(C(=O)c3csc(C)n3)C2)nn1
InChIInChI=1S/C18H26N6O2S/c1-4-22(5-2)17(25)15-11-24(21-20-15)10-14-7-6-8-23(9-14)18(26)16-12-27-13(3)19-16/h11-12,14H,4-10H2,1-3H3
InChIKeyIREGYVGOMQHISV-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.08
Rot. Bonds6

About N,N-diethyl-1-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]triazole-4-carboxamide

N,N-diethyl-1-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]triazole-4-carboxamide (PubChem CID 45234346) has the molecular formula C18H26N6O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is N,N-diethyl-1-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]triazole-4-carboxamide
PubChem CID45234346
Molecular FormulaC18H26N6O2S
Molecular Weight390.51 g/mol
Exact Mass390.18
IUPAC NameN,N-diethyl-1-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(CC2CCCN(C(=O)c3csc(C)n3)C2)nn1
InChIInChI=1S/C18H26N6O2S/c1-4-22(5-2)17(25)15-11-24(21-20-15)10-14-7-6-8-23(9-14)18(26)16-12-27-13(3)19-16/h11-12,14H,4-10H2,1-3H3
InChIKeyIREGYVGOMQHISV-UHFFFAOYSA-N
XLogP2.08
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[1-(2-cyclopentylacetyl)piperidin-3-yl]methyl]-N,N-diethyltriazole-4-carboxamide
CID 45179659
[(3S)-3-aminopiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 129371396
1-[[(3S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95229430
N,N-diethyl-1-[[1-(furan-3-ylmethyl)piperidin-3-yl]methyl]triazole-4-carboxamide
CID 45202777
N,N-diethyl-1-[[1-[3-(3-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]triazole-4-carboxamide
CID 45224059
1-[[(3R)-1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95211600
1-(2-methyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxamide
CID 110474094
[1-[[(3S)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]triazol-4-yl]-morpholin-4-ylmethanone
CID 16671265
1-[[(3R)-1-[(4-acetamidophenyl)methyl]piperidin-3-yl]methyl]-N,N-diethyltriazole-4-carboxamide
CID 26348448
1-[[(3R)-1-(2-methyl-1,3-benzothiazole-6-carbonyl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95206656
[3-(bromomethyl)pyrrolidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 80667838
1-[[(3S)-1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-3-yl]methyl]-N,N-diethyltriazole-4-carboxamide
CID 26341215

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]triazole-4-carboxamide?
The IUPAC name of N,N-diethyl-1-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]triazole-4-carboxamide (CID 45234346) is N,N-diethyl-1-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]triazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]triazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]triazole-4-carboxamide is CCN(CC)C(=O)c1cn(CC2CCCN(C(=O)c3csc(C)n3)C2)nn1.
What is the InChIKey of N,N-diethyl-1-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]triazole-4-carboxamide?
The InChIKey is IREGYVGOMQHISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2S/c1-4-22(5-2)17(25)15-11-24(21-20-15)10-14-7-6-8-23(9-14)18(26)16-12-27-13(3)19-16/h11-12,14H,4-10H2,1-3H3.
What are the key properties of N,N-diethyl-1-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]triazole-4-carboxamide?
N,N-diethyl-1-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]triazole-4-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 45234346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).