3-phenoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide

C18H17N3O2S — CID 9247160

IUPAC3-phenoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCC(C)c1nnc(NC(=O)c2cccc(Oc3ccccc3)c2)s1
InChIInChI=1S/C18H17N3O2S/c1-12(2)17-20-21-18(24-17)19-16(22)13-7-6-10-15(11-13)23-14-8-4-3-5-9-14/h3-12H,1-2H3,(H,19,21,22)
InChIKeyPADISGDLONGLIC-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.71
Rot. Bonds5

About 3-phenoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide

3-phenoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 9247160) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 3-phenoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-phenoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID9247160
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name3-phenoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCC(C)c1nnc(NC(=O)c2cccc(Oc3ccccc3)c2)s1
InChIInChI=1S/C18H17N3O2S/c1-12(2)17-20-21-18(24-17)19-16(22)13-7-6-10-15(11-13)23-14-8-4-3-5-9-14/h3-12H,1-2H3,(H,19,21,22)
InChIKeyPADISGDLONGLIC-UHFFFAOYSA-N
XLogP4.71
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32623875
3-phenoxy-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 41235422
3-phenoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 6470444
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 108804701
3-(1,3-dioxoisoindol-2-yl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1192525
3-(methylsulfonylmethyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 43033712
3,5-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 9247167
N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)-3-phenoxybenzamide
CID 7543008
N-(4-ethyl-1,3-benzothiazol-2-yl)-3-phenoxybenzamide
CID 41235420
N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
CID 8779117
N-(4-acetamidophenyl)-3-phenoxybenzamide
CID 2483771
4-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32623816

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-phenoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide (CID 9247160) is 3-phenoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-phenoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-phenoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide is CC(C)c1nnc(NC(=O)c2cccc(Oc3ccccc3)c2)s1.
What is the InChIKey of 3-phenoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is PADISGDLONGLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12(2)17-20-21-18(24-17)19-16(22)13-7-6-10-15(11-13)23-14-8-4-3-5-9-14/h3-12H,1-2H3,(H,19,21,22).
What are the key properties of 3-phenoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide?
3-phenoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 339.42 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 9247160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).