N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]furan-2-carboxamide

C12H14N2O2S — CID 71910314

IUPACN-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]furan-2-carboxamide
SMILESCCN(CCc1nccs1)C(=O)c1ccco1
InChIInChI=1S/C12H14N2O2S/c1-2-14(7-5-11-13-6-9-17-11)12(15)10-4-3-8-16-10/h3-4,6,8-9H,2,5,7H2,1H3
InChIKeyRSKUANCRRSXBHY-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.44
Rot. Bonds5

About N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]furan-2-carboxamide

N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]furan-2-carboxamide (PubChem CID 71910314) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]furan-2-carboxamide
PubChem CID71910314
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]furan-2-carboxamide
SMILESCCN(CCc1nccs1)C(=O)c1ccco1
InChIInChI=1S/C12H14N2O2S/c1-2-14(7-5-11-13-6-9-17-11)12(15)10-4-3-8-16-10/h3-4,6,8-9H,2,5,7H2,1H3
InChIKeyRSKUANCRRSXBHY-UHFFFAOYSA-N
XLogP2.44
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]furan-2-carboxamide?
The IUPAC name of N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]furan-2-carboxamide (CID 71910314) is N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]furan-2-carboxamide is CCN(CCc1nccs1)C(=O)c1ccco1.
What is the InChIKey of N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]furan-2-carboxamide?
The InChIKey is RSKUANCRRSXBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-2-14(7-5-11-13-6-9-17-11)12(15)10-4-3-8-16-10/h3-4,6,8-9H,2,5,7H2,1H3.
What are the key properties of N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]furan-2-carboxamide?
N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]furan-2-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(1,3-thiazol-2-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 71910314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).