4-[[(5-methyl-1,3,4-thiadiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol

C10H10N4O2S — CID 4639041

IUPAC4-[[(5-methyl-1,3,4-thiadiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESCc1nnc(NN=Cc2ccc(O)cc2O)s1
InChIInChI=1S/C10H10N4O2S/c1-6-12-14-10(17-6)13-11-5-7-2-3-8(15)4-9(7)16/h2-5,15-16H,1H3,(H,13,14)
InChIKeyXUPIKTSABQTWFF-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.70
Rot. Bonds3

About 4-[[(5-methyl-1,3,4-thiadiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol

4-[[(5-methyl-1,3,4-thiadiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 4639041) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 4-[[(5-methyl-1,3,4-thiadiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[(5-methyl-1,3,4-thiadiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
PubChem CID4639041
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name4-[[(5-methyl-1,3,4-thiadiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESCc1nnc(NN=Cc2ccc(O)cc2O)s1
InChIInChI=1S/C10H10N4O2S/c1-6-12-14-10(17-6)13-11-5-7-2-3-8(15)4-9(7)16/h2-5,15-16H,1H3,(H,13,14)
InChIKeyXUPIKTSABQTWFF-UHFFFAOYSA-N
XLogP1.70
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 136726946
4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135824362
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-methyl-1,3,4-thiadiazol-2-amine
CID 6380909
4-[(Z)-[(3-chloropyrazin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 136831564
4-[[(1-methylbenzimidazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 3634846
4-(methyliminomethyl)benzene-1,3-diol
CID 136600311
5-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2H-1,2,4-triazin-3-one
CID 135412186
1,2-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]guanidine
CID 136632894
2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]benzene-1,4-diol
CID 136601880
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 135628281
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680
4-iodo-3-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 168618025

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-methyl-1,3,4-thiadiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-[[(5-methyl-1,3,4-thiadiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol (CID 4639041) is 4-[[(5-methyl-1,3,4-thiadiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[(5-methyl-1,3,4-thiadiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[[(5-methyl-1,3,4-thiadiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol is Cc1nnc(NN=Cc2ccc(O)cc2O)s1.
What is the InChIKey of 4-[[(5-methyl-1,3,4-thiadiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is XUPIKTSABQTWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-6-12-14-10(17-6)13-11-5-7-2-3-8(15)4-9(7)16/h2-5,15-16H,1H3,(H,13,14).
What are the key properties of 4-[[(5-methyl-1,3,4-thiadiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
4-[[(5-methyl-1,3,4-thiadiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 250.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-methyl-1,3,4-thiadiazol-2-yl)hydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 4639041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).