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

C15H22N6O2S — CID 42153290

IUPAC1-[2-(diethylamino)-2-oxoethyl]-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)Cn1cc(C(=O)NCCc2scnc2C)nn1
InChIInChI=1S/C15H22N6O2S/c1-4-20(5-2)14(22)9-21-8-12(18-19-21)15(23)16-7-6-13-11(3)17-10-24-13/h8,10H,4-7,9H2,1-3H3,(H,16,23)
InChIKeyNKXVPWKZIKPMEB-UHFFFAOYSA-N
MW350.45 g/mol
LogP0.88
Rot. Bonds8

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

1-[2-(diethylamino)-2-oxoethyl]-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide (PubChem CID 42153290) has the molecular formula C15H22N6O2S and a molecular weight of 350.45 g/mol. Its IUPAC name is 1-[2-(diethylamino)-2-oxoethyl]-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(diethylamino)-2-oxoethyl]-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide
PubChem CID42153290
Molecular FormulaC15H22N6O2S
Molecular Weight350.45 g/mol
Exact Mass350.15
IUPAC Name1-[2-(diethylamino)-2-oxoethyl]-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)Cn1cc(C(=O)NCCc2scnc2C)nn1
InChIInChI=1S/C15H22N6O2S/c1-4-20(5-2)14(22)9-21-8-12(18-19-21)15(23)16-7-6-13-11(3)17-10-24-13/h8,10H,4-7,9H2,1-3H3,(H,16,23)
InChIKeyNKXVPWKZIKPMEB-UHFFFAOYSA-N
XLogP0.88
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-2-oxoethyl]-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-[2-(diethylamino)-2-oxoethyl]-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide (CID 42153290) is 1-[2-(diethylamino)-2-oxoethyl]-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[2-(diethylamino)-2-oxoethyl]-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-[2-(diethylamino)-2-oxoethyl]-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide is CCN(CC)C(=O)Cn1cc(C(=O)NCCc2scnc2C)nn1.
What is the InChIKey of 1-[2-(diethylamino)-2-oxoethyl]-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide?
The InChIKey is NKXVPWKZIKPMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2S/c1-4-20(5-2)14(22)9-21-8-12(18-19-21)15(23)16-7-6-13-11(3)17-10-24-13/h8,10H,4-7,9H2,1-3H3,(H,16,23).
What are the key properties of 1-[2-(diethylamino)-2-oxoethyl]-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide?
1-[2-(diethylamino)-2-oxoethyl]-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide has a molecular weight of 350.45 g/mol, XLogP of 0.88, 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-methyl-1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 42153290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).