N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-ethoxybenzamide

C12H14N4O2S — CID 92659579

IUPACN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCc2nnc(N)s2)cc1
InChIInChI=1S/C12H14N4O2S/c1-2-18-9-5-3-8(4-6-9)11(17)14-7-10-15-16-12(13)19-10/h3-6H,2,7H2,1H3,(H2,13,16)(H,14,17)
InChIKeyWODAGGZSIHBHGE-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.45
Rot. Bonds5

About N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-ethoxybenzamide

N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-ethoxybenzamide (PubChem CID 92659579) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-ethoxybenzamide
PubChem CID92659579
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCc2nnc(N)s2)cc1
InChIInChI=1S/C12H14N4O2S/c1-2-18-9-5-3-8(4-6-9)11(17)14-7-10-15-16-12(13)19-10/h3-6H,2,7H2,1H3,(H2,13,16)(H,14,17)
InChIKeyWODAGGZSIHBHGE-UHFFFAOYSA-N
XLogP1.45
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-acetamido-N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]benzamide
CID 92659597
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 91788939
N-[[4-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide
CID 60918064
N-[[2-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide
CID 62952156
4-ethoxy-N-[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide
CID 34110789
4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 17349908
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108540562
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide
CID 53282891
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-4-methoxybenzamide
CID 110440268
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-4-methylbenzamide
CID 122567122

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-ethoxybenzamide?
The IUPAC name of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-ethoxybenzamide (CID 92659579) is N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-ethoxybenzamide?
The canonical SMILES for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NCc2nnc(N)s2)cc1.
What is the InChIKey of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-ethoxybenzamide?
The InChIKey is WODAGGZSIHBHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-2-18-9-5-3-8(4-6-9)11(17)14-7-10-15-16-12(13)19-10/h3-6H,2,7H2,1H3,(H2,13,16)(H,14,17).
What are the key properties of N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-ethoxybenzamide?
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-ethoxybenzamide has a molecular weight of 278.34 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-ethoxybenzamide is sourced from PubChem (CID 92659579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).