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

C11H11N3O2S — CID 646611

IUPAC2-ethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCCOc1ccccc1C(=O)Nc1nncs1
InChIInChI=1S/C11H11N3O2S/c1-2-16-9-6-4-3-5-8(9)10(15)13-11-14-12-7-17-11/h3-7H,2H2,1H3,(H,13,14,15)
InChIKeyLRGGJZBHZBZNIS-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.19
Rot. Bonds4

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

2-ethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 646611) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-ethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-ethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID646611
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name2-ethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCCOc1ccccc1C(=O)Nc1nncs1
InChIInChI=1S/C11H11N3O2S/c1-2-16-9-6-4-3-5-8(9)10(15)13-11-14-12-7-17-11/h3-7H,2H2,1H3,(H,13,14,15)
InChIKeyLRGGJZBHZBZNIS-UHFFFAOYSA-N
XLogP2.19
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Bas 07005712
CID 656143
4-(2-methylphenoxy)-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 1637640
ethyl [(5E)-5-{[(2-methoxyphenyl)carbonyl]imino}-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetate
CID 665316
2-methoxy-N-[(2-propyl-2H-tetrazol-5-yl)carbamothioyl]benzamide
CID 936801
3-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 4055929
2-ethoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 750667
2,4-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 821625
2-ethoxy-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 871221
2-ethoxy-N-(1H-tetrazol-5-yl)benzamide
CID 896527
2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1500051
Ethyl (5-{[(2-ethoxyphenyl)carbonyl]amino}-1,3,4-thiadiazol-2-yl)acetate
CID 2164999
N-[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-methoxybenzamide
CID 2630296

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-ethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 646611) is 2-ethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-ethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-ethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide is CCOc1ccccc1C(=O)Nc1nncs1.
What is the InChIKey of 2-ethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is LRGGJZBHZBZNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-2-16-9-6-4-3-5-8(9)10(15)13-11-14-12-7-17-11/h3-7H,2H2,1H3,(H,13,14,15).
What are the key properties of 2-ethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
2-ethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 249.30 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 646611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).