2-(ethylamino)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide

C12H17N5O2S — CID 71914809

IUPAC2-(ethylamino)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCCNc1nc(C(=O)N(C)Cc2nc(CC)no2)cs1
InChIInChI=1S/C12H17N5O2S/c1-4-9-15-10(19-16-9)6-17(3)11(18)8-7-20-12(14-8)13-5-2/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyTVKXRRGRRWSDCQ-UHFFFAOYSA-N
MW295.37 g/mol
LogP1.79
Rot. Bonds6

About 2-(ethylamino)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide

2-(ethylamino)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 71914809) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID71914809
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name2-(ethylamino)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
SMILESCCNc1nc(C(=O)N(C)Cc2nc(CC)no2)cs1
InChIInChI=1S/C12H17N5O2S/c1-4-9-15-10(19-16-9)6-17(3)11(18)8-7-20-12(14-8)13-5-2/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyTVKXRRGRRWSDCQ-UHFFFAOYSA-N
XLogP1.79
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide (CID 71914809) is 2-(ethylamino)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide is CCNc1nc(C(=O)N(C)Cc2nc(CC)no2)cs1.
What is the InChIKey of 2-(ethylamino)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is TVKXRRGRRWSDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-4-9-15-10(19-16-9)6-17(3)11(18)8-7-20-12(14-8)13-5-2/h7H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 2-(ethylamino)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide?
2-(ethylamino)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 295.37 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71914809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).