[(Z)-[(2-aminophenyl)-(5-amino-1,3,4-thiadiazol-2-yl)methylidene]amino]thiourea

C10H11N7S2 — CID 6869123

IUPAC[(Z)-[(2-aminophenyl)-(5-amino-1,3,4-thiadiazol-2-yl)methylidene]amino]thiourea
SMILESNC(=S)N/N=C(\c1nnc(N)s1)c1ccccc1N
InChIInChI=1S/C10H11N7S2/c11-6-4-2-1-3-5(6)7(14-16-9(12)18)8-15-17-10(13)19-8/h1-4H,11H2,(H2,13,17)(H3,12,16,18)/b14-7-
InChIKeyYEKRVJUOPRAOST-AUWJEWJLSA-N
MW293.38 g/mol
LogP0.29
Rot. Bonds3

About [(Z)-[(2-aminophenyl)-(5-amino-1,3,4-thiadiazol-2-yl)methylidene]amino]thiourea

[(Z)-[(2-aminophenyl)-(5-amino-1,3,4-thiadiazol-2-yl)methylidene]amino]thiourea (PubChem CID 6869123) has the molecular formula C10H11N7S2 and a molecular weight of 293.38 g/mol. Its IUPAC name is [(Z)-[(2-aminophenyl)-(5-amino-1,3,4-thiadiazol-2-yl)methylidene]amino]thiourea.

Molecular Properties

Compound Name[(Z)-[(2-aminophenyl)-(5-amino-1,3,4-thiadiazol-2-yl)methylidene]amino]thiourea
PubChem CID6869123
Molecular FormulaC10H11N7S2
Molecular Weight293.38 g/mol
Exact Mass293.05
IUPAC Name[(Z)-[(2-aminophenyl)-(5-amino-1,3,4-thiadiazol-2-yl)methylidene]amino]thiourea
SMILESNC(=S)N/N=C(\c1nnc(N)s1)c1ccccc1N
InChIInChI=1S/C10H11N7S2/c11-6-4-2-1-3-5(6)7(14-16-9(12)18)8-15-17-10(13)19-8/h1-4H,11H2,(H2,13,17)(H3,12,16,18)/b14-7-
InChIKeyYEKRVJUOPRAOST-AUWJEWJLSA-N
XLogP0.29
TPSA128.23 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(2-Nitrophenyl)-1,3,4-thiadiazol-2-amine
CID 4351712
1-[5-(2-Methylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenylhydrazine
CID 13684070
[5-(2-Nitrophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
CID 45263029
2-[5-(2-Aminophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride
CID 45265550
5-(4-aminophenyl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 5270654
2-(5-Methyl-1,3,4-thiadiazol-2-yl)aniline
CID 13107853
2,2'-(1,3,4-Thiadiazole-2,5-diyl)dianiline
CID 13107859
5-(2'-Aminophenyl)-2-dimethylamino-1,3,4-thiadiazole
CID 15449672
Phenyl-(5-phenyl-1,3,4-thiadiazol-2-yl)diazene
CID 15557536
[5-(2-Nitrophenyl)-1,3,4-thiadiazol-2-yl]hydrazine
CID 14091206
2-[5-(2-Aminophenyl)-1,3,4-thiadiazol-2-yl]guanidine
CID 14140375
5-[2-(3-Amino-4-fluorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 82476899

Frequently Asked Questions

What is the IUPAC name of [(Z)-[(2-aminophenyl)-(5-amino-1,3,4-thiadiazol-2-yl)methylidene]amino]thiourea?
The IUPAC name of [(Z)-[(2-aminophenyl)-(5-amino-1,3,4-thiadiazol-2-yl)methylidene]amino]thiourea (CID 6869123) is [(Z)-[(2-aminophenyl)-(5-amino-1,3,4-thiadiazol-2-yl)methylidene]amino]thiourea.
What is the SMILES notation for [(Z)-[(2-aminophenyl)-(5-amino-1,3,4-thiadiazol-2-yl)methylidene]amino]thiourea?
The canonical SMILES for [(Z)-[(2-aminophenyl)-(5-amino-1,3,4-thiadiazol-2-yl)methylidene]amino]thiourea is NC(=S)N/N=C(\c1nnc(N)s1)c1ccccc1N.
What is the InChIKey of [(Z)-[(2-aminophenyl)-(5-amino-1,3,4-thiadiazol-2-yl)methylidene]amino]thiourea?
The InChIKey is YEKRVJUOPRAOST-AUWJEWJLSA-N. The full InChI is InChI=1S/C10H11N7S2/c11-6-4-2-1-3-5(6)7(14-16-9(12)18)8-15-17-10(13)19-8/h1-4H,11H2,(H2,13,17)(H3,12,16,18)/b14-7-.
What are the key properties of [(Z)-[(2-aminophenyl)-(5-amino-1,3,4-thiadiazol-2-yl)methylidene]amino]thiourea?
[(Z)-[(2-aminophenyl)-(5-amino-1,3,4-thiadiazol-2-yl)methylidene]amino]thiourea has a molecular weight of 293.38 g/mol, XLogP of 0.29, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(2-aminophenyl)-(5-amino-1,3,4-thiadiazol-2-yl)methylidene]amino]thiourea is sourced from PubChem (CID 6869123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).