2-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride

C9H9Cl2N5S — CID 45263106

IUPAC2-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride
SMILESCl.NC(N)=Nc1nnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C9H8ClN5S.ClH/c10-6-3-1-5(2-4-6)7-14-15-9(16-7)13-8(11)12;/h1-4H,(H4,11,12,13,15);1H
InChIKeyHQMXIMIWUVGQKL-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.19
Rot. Bonds2

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

2-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride (PubChem CID 45263106) has the molecular formula C9H9Cl2N5S and a molecular weight of 290.18 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride
PubChem CID45263106
Molecular FormulaC9H9Cl2N5S
Molecular Weight290.18 g/mol
Exact Mass289.00
IUPAC Name2-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride
SMILESCl.NC(N)=Nc1nnc(-c2ccc(Cl)cc2)s1
InChIInChI=1S/C9H8ClN5S.ClH/c10-6-3-1-5(2-4-6)7-14-15-9(16-7)13-8(11)12;/h1-4H,(H4,11,12,13,15);1H
InChIKeyHQMXIMIWUVGQKL-UHFFFAOYSA-N
XLogP2.19
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-(2-Chlorophenyl)-1,3,4-thiadiazol-2-amine
CID 554211
5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-amine
CID 668392
5-(2,4-Dichlorophenyl)-1,3,4-thiadiazol-2-amine
CID 182638
5-(4-Chlorobenzyl)-1,3,4-thiadiazol-2-amine
CID 702289
5-(3,4-Dichlorophenyl)-1,3,4-thiadiazol-2-amine
CID 554213
5-(3-Chlorophenyl)-1,3,4-thiadiazol-2-amine
CID 2772306
2-Chloro-5-(4-chlorophenyl)-1,3,4-thiadiazole
CID 13318775
(E)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(2,4-dichlorophenyl)methanimine
CID 155538670
[5-(2,6-Dichlorophenyl)-1,3,4-thiadiazol-2-yl]hydrazine
CID 14091213
1,3,4-Thiadiazole, 5-(4-chlorophenyl)-2-(dimethylamino)-
CID 3039977
1,3,4-Thiadiazole, 2-amino-5-(o-chlorophenyl)-, hydrochloride, hydrate
CID 11971453
Sbb059609
CID 2769382

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride?
The IUPAC name of 2-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride (CID 45263106) is 2-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride is Cl.NC(N)=Nc1nnc(-c2ccc(Cl)cc2)s1.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride?
The InChIKey is HQMXIMIWUVGQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5S.ClH/c10-6-3-1-5(2-4-6)7-14-15-9(16-7)13-8(11)12;/h1-4H,(H4,11,12,13,15);1H.
What are the key properties of 2-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride?
2-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride has a molecular weight of 290.18 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine;hydrochloride is sourced from PubChem (CID 45263106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).