3-phenoxy-N-(1,3,4-thiadiazol-2-yl)benzamide

C15H11N3O2S — CID 6470444

IUPAC3-phenoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H11N3O2S/c19-14(17-15-18-16-10-21-15)11-5-4-8-13(9-11)20-12-6-2-1-3-7-12/h1-10H,(H,17,18,19)
InChIKeyFELWNNHODJPXRJ-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.58
Rot. Bonds4

About 3-phenoxy-N-(1,3,4-thiadiazol-2-yl)benzamide

3-phenoxy-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 6470444) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is 3-phenoxy-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-phenoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID6470444
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC Name3-phenoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESO=C(Nc1nncs1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C15H11N3O2S/c19-14(17-15-18-16-10-21-15)11-5-4-8-13(9-11)20-12-6-2-1-3-7-12/h1-10H,(H,17,18,19)
InChIKeyFELWNNHODJPXRJ-UHFFFAOYSA-N
XLogP3.58
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 9247160
4-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 17018933
2-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 2806491
N-(4-acetamidophenyl)-3-phenoxybenzamide
CID 2483771
N-(4-bromophenyl)-3-phenoxybenzamide
CID 1318843
N-(2-methylphenyl)-3-phenoxybenzamide
CID 2097138
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
N-(2-tert-butylphenyl)-3-phenoxybenzamide
CID 7920156
N-(4-ethyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide
CID 41235420
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxybenzamide
CID 7543008
3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 739253
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-phenoxybenzamide
CID 2334070

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-phenoxy-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 6470444) is 3-phenoxy-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-phenoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-phenoxy-N-(1,3,4-thiadiazol-2-yl)benzamide is O=C(Nc1nncs1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-phenoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is FELWNNHODJPXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S/c19-14(17-15-18-16-10-21-15)11-5-4-8-13(9-11)20-12-6-2-1-3-7-12/h1-10H,(H,17,18,19).
What are the key properties of 3-phenoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
3-phenoxy-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 297.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 6470444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).