5-(phenoxymethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide

C15H12N2O3S — CID 2967498

IUPAC5-(phenoxymethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nccs1)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C15H12N2O3S/c18-14(17-15-16-8-9-21-15)13-7-6-12(20-13)10-19-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17,18)
InChIKeyIKOPCQYHELSJOB-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.57
Rot. Bonds5

About 5-(phenoxymethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide

5-(phenoxymethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide (PubChem CID 2967498) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 5-(phenoxymethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(phenoxymethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
PubChem CID2967498
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name5-(phenoxymethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nccs1)c1ccc(COc2ccccc2)o1
InChIInChI=1S/C15H12N2O3S/c18-14(17-15-16-8-9-21-15)13-7-6-12(20-13)10-19-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17,18)
InChIKeyIKOPCQYHELSJOB-UHFFFAOYSA-N
XLogP3.57
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(phenoxymethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 5-(phenoxymethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide (CID 2967498) is 5-(phenoxymethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(phenoxymethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-(phenoxymethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide is O=C(Nc1nccs1)c1ccc(COc2ccccc2)o1.
What is the InChIKey of 5-(phenoxymethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
The InChIKey is IKOPCQYHELSJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c18-14(17-15-16-8-9-21-15)13-7-6-12(20-13)10-19-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17,18).
What are the key properties of 5-(phenoxymethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide?
5-(phenoxymethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenoxymethyl)-N-(1,3-thiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 2967498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).