N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[2-[(2R)-piperidin-2-yl]ethyl]triazole-4-carboxamide

C17H26N6OS — CID 95875073

IUPACN-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[2-[(2R)-piperidin-2-yl]ethyl]triazole-4-carboxamide
SMILESCc1ncsc1CCN(C)C(=O)c1cn(CC[C@H]2CCCCN2)nn1
InChIInChI=1S/C17H26N6OS/c1-13-16(25-12-19-13)7-9-22(2)17(24)15-11-23(21-20-15)10-6-14-5-3-4-8-18-14/h11-12,14,18H,3-10H2,1-2H3/t14-/m1/s1
InChIKeyCTAODVUWDNYMSU-CQSZACIVSA-N
MW362.50 g/mol
LogP1.89
Rot. Bonds7

About N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[2-[(2R)-piperidin-2-yl]ethyl]triazole-4-carboxamide

N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[2-[(2R)-piperidin-2-yl]ethyl]triazole-4-carboxamide (PubChem CID 95875073) has the molecular formula C17H26N6OS and a molecular weight of 362.50 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[2-[(2R)-piperidin-2-yl]ethyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[2-[(2R)-piperidin-2-yl]ethyl]triazole-4-carboxamide
PubChem CID95875073
Molecular FormulaC17H26N6OS
Molecular Weight362.50 g/mol
Exact Mass362.19
IUPAC NameN-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[2-[(2R)-piperidin-2-yl]ethyl]triazole-4-carboxamide
SMILESCc1ncsc1CCN(C)C(=O)c1cn(CC[C@H]2CCCCN2)nn1
InChIInChI=1S/C17H26N6OS/c1-13-16(25-12-19-13)7-9-22(2)17(24)15-11-23(21-20-15)10-6-14-5-3-4-8-18-14/h11-12,14,18H,3-10H2,1-2H3/t14-/m1/s1
InChIKeyCTAODVUWDNYMSU-CQSZACIVSA-N
XLogP1.89
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70760529
N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70744158
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70755345
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazole-4-carboxylic acid
CID 62070666
N-ethyl-2-(4-methyl-1,3-thiazol-5-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632450
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70766008
N-(oxan-4-yl)-1-[2-[(2R)-piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 96573576
2,2,2-trifluoro-1-[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazol-4-yl]ethanone
CID 62582335
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70724429
3-[1-[1-[2-[(2S)-piperidin-2-yl]ethyl]triazole-4-carbonyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 96579039
(2R)-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125438357
4-methyl-N-(2-pyrrolidin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 114793983

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[2-[(2R)-piperidin-2-yl]ethyl]triazole-4-carboxamide?
The IUPAC name of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[2-[(2R)-piperidin-2-yl]ethyl]triazole-4-carboxamide (CID 95875073) is N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[2-[(2R)-piperidin-2-yl]ethyl]triazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[2-[(2R)-piperidin-2-yl]ethyl]triazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[2-[(2R)-piperidin-2-yl]ethyl]triazole-4-carboxamide is Cc1ncsc1CCN(C)C(=O)c1cn(CC[C@H]2CCCCN2)nn1.
What is the InChIKey of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[2-[(2R)-piperidin-2-yl]ethyl]triazole-4-carboxamide?
The InChIKey is CTAODVUWDNYMSU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N6OS/c1-13-16(25-12-19-13)7-9-22(2)17(24)15-11-23(21-20-15)10-6-14-5-3-4-8-18-14/h11-12,14,18H,3-10H2,1-2H3/t14-/m1/s1.
What are the key properties of N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[2-[(2R)-piperidin-2-yl]ethyl]triazole-4-carboxamide?
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[2-[(2R)-piperidin-2-yl]ethyl]triazole-4-carboxamide has a molecular weight of 362.50 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-[2-[(2R)-piperidin-2-yl]ethyl]triazole-4-carboxamide is sourced from PubChem (CID 95875073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).