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

C13H16N4OS — CID 119505049

IUPACN-[2-(ethylamino)ethyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESCCNCCNC(=O)c1cnc(-c2ccncc2)s1
InChIInChI=1S/C13H16N4OS/c1-2-14-7-8-16-12(18)11-9-17-13(19-11)10-3-5-15-6-4-10/h3-6,9,14H,2,7-8H2,1H3,(H,16,18)
InChIKeyRMHSESLLDALKIR-UHFFFAOYSA-N
MW276.37 g/mol
LogP1.54
Rot. Bonds6

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

N-[2-(ethylamino)ethyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 119505049) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID119505049
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN-[2-(ethylamino)ethyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESCCNCCNC(=O)c1cnc(-c2ccncc2)s1
InChIInChI=1S/C13H16N4OS/c1-2-14-7-8-16-12(18)11-9-17-13(19-11)10-3-5-15-6-4-10/h3-6,9,14H,2,7-8H2,1H3,(H,16,18)
InChIKeyRMHSESLLDALKIR-UHFFFAOYSA-N
XLogP1.54
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (CID 119505049) is N-[2-(ethylamino)ethyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is CCNCCNC(=O)c1cnc(-c2ccncc2)s1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is RMHSESLLDALKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-2-14-7-8-16-12(18)11-9-17-13(19-11)10-3-5-15-6-4-10/h3-6,9,14H,2,7-8H2,1H3,(H,16,18).
What are the key properties of N-[2-(ethylamino)ethyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
N-[2-(ethylamino)ethyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119505049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).