1-[2-(diethylamino)-2-oxoethyl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide

C16H24N6O2S — CID 42241652

IUPAC1-[2-(diethylamino)-2-oxoethyl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)Cn1cc(C(=O)NCCc2nc(C)c(C)s2)nn1
InChIInChI=1S/C16H24N6O2S/c1-5-21(6-2)15(23)10-22-9-13(19-20-22)16(24)17-8-7-14-18-11(3)12(4)25-14/h9H,5-8,10H2,1-4H3,(H,17,24)
InChIKeySJZOMSXECSBWJL-UHFFFAOYSA-N
MW364.48 g/mol
LogP1.19
Rot. Bonds8

About 1-[2-(diethylamino)-2-oxoethyl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide

1-[2-(diethylamino)-2-oxoethyl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide (PubChem CID 42241652) has the molecular formula C16H24N6O2S and a molecular weight of 364.48 g/mol. Its IUPAC name is 1-[2-(diethylamino)-2-oxoethyl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(diethylamino)-2-oxoethyl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide
PubChem CID42241652
Molecular FormulaC16H24N6O2S
Molecular Weight364.48 g/mol
Exact Mass364.17
IUPAC Name1-[2-(diethylamino)-2-oxoethyl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)Cn1cc(C(=O)NCCc2nc(C)c(C)s2)nn1
InChIInChI=1S/C16H24N6O2S/c1-5-21(6-2)15(23)10-22-9-13(19-20-22)16(24)17-8-7-14-18-11(3)12(4)25-14/h9H,5-8,10H2,1-4H3,(H,17,24)
InChIKeySJZOMSXECSBWJL-UHFFFAOYSA-N
XLogP1.19
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(diethylamino)-2-oxoethyl]-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide
CID 42153290
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72882189
4-(dimethylamino)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110746492
1-[2-(diethylamino)-2-oxoethyl]-N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]triazole-4-carboxamide
CID 25453971
1-[2-(diethylamino)-2-oxoethyl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]triazole-4-carboxamide
CID 42240965
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)triazole-4-carboxamide
CID 28737024
1-[2-(diethylamino)-2-oxoethyl]-N-[(1,1-dioxothiolan-3-yl)methyl]triazole-4-carboxamide
CID 56907798
2-[4-(2-ethoxyethylcarbamoyl)triazol-1-yl]acetic acid
CID 66288954
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-2-fluorobenzamide
CID 110739449
2-[4-[2-(2-methylphenyl)ethylcarbamoyl]triazol-1-yl]acetic acid
CID 79756022
2-[4-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]triazol-1-yl]acetic acid
CID 80689290
2-[4-(aminomethyl)triazol-1-yl]-N,N-diethylacetamide
CID 62055542

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-2-oxoethyl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-[2-(diethylamino)-2-oxoethyl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide (CID 42241652) is 1-[2-(diethylamino)-2-oxoethyl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[2-(diethylamino)-2-oxoethyl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-[2-(diethylamino)-2-oxoethyl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide is CCN(CC)C(=O)Cn1cc(C(=O)NCCc2nc(C)c(C)s2)nn1.
What is the InChIKey of 1-[2-(diethylamino)-2-oxoethyl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide?
The InChIKey is SJZOMSXECSBWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2S/c1-5-21(6-2)15(23)10-22-9-13(19-20-22)16(24)17-8-7-14-18-11(3)12(4)25-14/h9H,5-8,10H2,1-4H3,(H,17,24).
What are the key properties of 1-[2-(diethylamino)-2-oxoethyl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide?
1-[2-(diethylamino)-2-oxoethyl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide has a molecular weight of 364.48 g/mol, XLogP of 1.19, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-2-oxoethyl]-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 42241652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).