2-ethyl-N-[2-(furan-3-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide

C13H15N3O3S — CID 47426643

IUPAC2-ethyl-N-[2-(furan-3-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCCNC(=O)c2ccoc2)s1
InChIInChI=1S/C13H15N3O3S/c1-2-11-16-7-10(20-11)13(18)15-5-4-14-12(17)9-3-6-19-8-9/h3,6-8H,2,4-5H2,1H3,(H,14,17)(H,15,18)
InChIKeyXXLOQCRBNJNBSJ-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.46
Rot. Bonds6

About 2-ethyl-N-[2-(furan-3-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide

2-ethyl-N-[2-(furan-3-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 47426643) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-ethyl-N-[2-(furan-3-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(furan-3-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID47426643
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name2-ethyl-N-[2-(furan-3-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCCNC(=O)c2ccoc2)s1
InChIInChI=1S/C13H15N3O3S/c1-2-11-16-7-10(20-11)13(18)15-5-4-14-12(17)9-3-6-19-8-9/h3,6-8H,2,4-5H2,1H3,(H,14,17)(H,15,18)
InChIKeyXXLOQCRBNJNBSJ-UHFFFAOYSA-N
XLogP1.46
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.46
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 2-ethyl-N-[2-(furan-3-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-[2-(furan-3-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide (CID 47426643) is 2-ethyl-N-[2-(furan-3-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[2-(furan-3-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[2-(furan-3-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)NCCNC(=O)c2ccoc2)s1.
What is the InChIKey of 2-ethyl-N-[2-(furan-3-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is XXLOQCRBNJNBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-2-11-16-7-10(20-11)13(18)15-5-4-14-12(17)9-3-6-19-8-9/h3,6-8H,2,4-5H2,1H3,(H,14,17)(H,15,18).
What are the key properties of 2-ethyl-N-[2-(furan-3-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide?
2-ethyl-N-[2-(furan-3-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(furan-3-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47426643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).