[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride

C9H11ClN4S — CID 45263058

IUPAC[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
SMILESCc1cccc(-c2nnc(NN)s2)c1.Cl
InChIInChI=1S/C9H10N4S.ClH/c1-6-3-2-4-7(5-6)8-12-13-9(11-10)14-8;/h2-5H,10H2,1H3,(H,11,13);1H
InChIKeyCBEHJVRBNMQLIF-UHFFFAOYSA-N
MW242.74 g/mol
LogP2.22
Rot. Bonds2

About [5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride

[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride (PubChem CID 45263058) has the molecular formula C9H11ClN4S and a molecular weight of 242.74 g/mol. Its IUPAC name is [5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride.

Molecular Properties

Compound Name[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
PubChem CID45263058
Molecular FormulaC9H11ClN4S
Molecular Weight242.74 g/mol
Exact Mass242.04
IUPAC Name[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
SMILESCc1cccc(-c2nnc(NN)s2)c1.Cl
InChIInChI=1S/C9H10N4S.ClH/c1-6-3-2-4-7(5-6)8-12-13-9(11-10)14-8;/h2-5H,10H2,1H3,(H,11,13);1H
InChIKeyCBEHJVRBNMQLIF-UHFFFAOYSA-N
XLogP2.22
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.74
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine
CID 14091195
[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
CID 45265519
[5-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 14091198
3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 4191834
[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]hydrazine
CID 116887834
5-(3-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 154810072
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 4191915
2-methyl-N-[1-[[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 4117288
[5-(2,3-dimethylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
CID 21326067
4-chloro-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 977301
4-tert-butyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 1002981
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-(trifluoromethyl)benzamide
CID 4111551

Frequently Asked Questions

What is the IUPAC name of [5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride?
The IUPAC name of [5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride (CID 45263058) is [5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride.
What is the SMILES notation for [5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride?
The canonical SMILES for [5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride is Cc1cccc(-c2nnc(NN)s2)c1.Cl.
What is the InChIKey of [5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride?
The InChIKey is CBEHJVRBNMQLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S.ClH/c1-6-3-2-4-7(5-6)8-12-13-9(11-10)14-8;/h2-5H,10H2,1H3,(H,11,13);1H.
What are the key properties of [5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride?
[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride has a molecular weight of 242.74 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride is sourced from PubChem (CID 45263058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).