2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(3-hydroxyphenyl)methylideneamino]acetamide

C11H11N5O2S — CID 714368

IUPAC2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(3-hydroxyphenyl)methylideneamino]acetamide
SMILESNc1nnc(CC(=O)NN=Cc2cccc(O)c2)s1
InChIInChI=1S/C11H11N5O2S/c12-11-16-15-10(19-11)5-9(18)14-13-6-7-2-1-3-8(17)4-7/h1-4,6,17H,5H2,(H2,12,16)(H,14,18)
InChIKeyAPOSZNUPYRCERD-UHFFFAOYSA-N
MW277.31 g/mol
LogP0.52
Rot. Bonds4

About 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(3-hydroxyphenyl)methylideneamino]acetamide

2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(3-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 714368) has the molecular formula C11H11N5O2S and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(3-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(3-hydroxyphenyl)methylideneamino]acetamide
PubChem CID714368
Molecular FormulaC11H11N5O2S
Molecular Weight277.31 g/mol
Exact Mass277.06
IUPAC Name2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(3-hydroxyphenyl)methylideneamino]acetamide
SMILESNc1nnc(CC(=O)NN=Cc2cccc(O)c2)s1
InChIInChI=1S/C11H11N5O2S/c12-11-16-15-10(19-11)5-9(18)14-13-6-7-2-1-3-8(17)4-7/h1-4,6,17H,5H2,(H2,12,16)(H,14,18)
InChIKeyAPOSZNUPYRCERD-UHFFFAOYSA-N
XLogP0.52
TPSA113.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 135699257
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 3742199
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[3-[2-(2-methylphenoxy)ethoxy]phenyl]methylideneamino]acetamide
CID 6883669
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]acetamide
CID 5409751
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6875423
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 1419519
2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 110522782
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 5349866
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 44537677
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 6862608
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 5339960
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(5-chloro-2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 1410288

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(3-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(3-hydroxyphenyl)methylideneamino]acetamide (CID 714368) is 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(3-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(3-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(3-hydroxyphenyl)methylideneamino]acetamide is Nc1nnc(CC(=O)NN=Cc2cccc(O)c2)s1.
What is the InChIKey of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(3-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is APOSZNUPYRCERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2S/c12-11-16-15-10(19-11)5-9(18)14-13-6-7-2-1-3-8(17)4-7/h1-4,6,17H,5H2,(H2,12,16)(H,14,18).
What are the key properties of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(3-hydroxyphenyl)methylideneamino]acetamide?
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(3-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 277.31 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(3-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 714368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).