N-[2-(ethylamino)ethyl]-1,3-thiazole-2-carboxamide

C8H13N3OS — CID 68657654

IUPACN-[2-(ethylamino)ethyl]-1,3-thiazole-2-carboxamide
SMILESCCNCCNC(=O)c1nccs1
InChIInChI=1S/C8H13N3OS/c1-2-9-3-4-10-7(12)8-11-5-6-13-8/h5-6,9H,2-4H2,1H3,(H,10,12)
InChIKeyHYFHYBYQAYREKU-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.48
Rot. Bonds5

About N-[2-(ethylamino)ethyl]-1,3-thiazole-2-carboxamide

N-[2-(ethylamino)ethyl]-1,3-thiazole-2-carboxamide (PubChem CID 68657654) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-1,3-thiazole-2-carboxamide
PubChem CID68657654
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC NameN-[2-(ethylamino)ethyl]-1,3-thiazole-2-carboxamide
SMILESCCNCCNC(=O)c1nccs1
InChIInChI=1S/C8H13N3OS/c1-2-9-3-4-10-7(12)8-11-5-6-13-8/h5-6,9H,2-4H2,1H3,(H,10,12)
InChIKeyHYFHYBYQAYREKU-UHFFFAOYSA-N
XLogP0.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-1,3-thiazole-2-carboxamide (CID 68657654) is N-[2-(ethylamino)ethyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-1,3-thiazole-2-carboxamide is CCNCCNC(=O)c1nccs1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-1,3-thiazole-2-carboxamide?
The InChIKey is HYFHYBYQAYREKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-2-9-3-4-10-7(12)8-11-5-6-13-8/h5-6,9H,2-4H2,1H3,(H,10,12).
What are the key properties of N-[2-(ethylamino)ethyl]-1,3-thiazole-2-carboxamide?
N-[2-(ethylamino)ethyl]-1,3-thiazole-2-carboxamide has a molecular weight of 199.28 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 68657654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).