3-(phenoxymethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide

C14H11N3O3S — CID 29370752

IUPAC3-(phenoxymethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nncs1)c1occc1COc1ccccc1
InChIInChI=1S/C14H11N3O3S/c18-13(16-14-17-15-9-21-14)12-10(6-7-19-12)8-20-11-4-2-1-3-5-11/h1-7,9H,8H2,(H,16,17,18)
InChIKeyHVEMKENHYFVPEO-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.96
Rot. Bonds5

About 3-(phenoxymethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide

3-(phenoxymethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide (PubChem CID 29370752) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 3-(phenoxymethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name3-(phenoxymethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide
PubChem CID29370752
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name3-(phenoxymethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nncs1)c1occc1COc1ccccc1
InChIInChI=1S/C14H11N3O3S/c18-13(16-14-17-15-9-21-14)12-10(6-7-19-12)8-20-11-4-2-1-3-5-11/h1-7,9H,8H2,(H,16,17,18)
InChIKeyHVEMKENHYFVPEO-UHFFFAOYSA-N
XLogP2.96
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)-3-(phenoxymethyl)furan-2-carboxamide
CID 17457516
3-(phenoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 46699094
3-(phenoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 30138155
N-ethoxy-3-(phenoxymethyl)furan-2-carboxamide
CID 30690709
N-(2,4-dimethylphenyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 17454230
N-(2,4-difluorophenyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 17493088
N-(2,5-dichlorophenyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 25400603
N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
3-(phenoxymethyl)-N-prop-2-enylfuran-2-carboxamide
CID 46689866
N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876
N-(1,3-benzodioxol-5-yl)-3-(phenoxymethyl)furan-2-carboxamide
CID 25398439
3-(phenoxymethyl)-N-(2H-triazol-4-ylmethyl)furan-2-carboxamide
CID 75512492

Frequently Asked Questions

What is the IUPAC name of 3-(phenoxymethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The IUPAC name of 3-(phenoxymethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide (CID 29370752) is 3-(phenoxymethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for 3-(phenoxymethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for 3-(phenoxymethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide is O=C(Nc1nncs1)c1occc1COc1ccccc1.
What is the InChIKey of 3-(phenoxymethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
The InChIKey is HVEMKENHYFVPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c18-13(16-14-17-15-9-21-14)12-10(6-7-19-12)8-20-11-4-2-1-3-5-11/h1-7,9H,8H2,(H,16,17,18).
What are the key properties of 3-(phenoxymethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide?
3-(phenoxymethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide has a molecular weight of 301.33 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxymethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 29370752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).