2-[5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine

C9H7Cl2N5S — CID 14140362

IUPAC2-[5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine
SMILESNC(N)=Nc1nnc(-c2c(Cl)cccc2Cl)s1
InChIInChI=1S/C9H7Cl2N5S/c10-4-2-1-3-5(11)6(4)7-15-16-9(17-7)14-8(12)13/h1-3H,(H4,12,13,14,16)
InChIKeyLSDAKTGOKVYYGS-UHFFFAOYSA-N
MW288.16 g/mol
LogP2.42
Rot. Bonds2

About 2-[5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine

2-[5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine (PubChem CID 14140362) has the molecular formula C9H7Cl2N5S and a molecular weight of 288.16 g/mol. Its IUPAC name is 2-[5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine.

Molecular Properties

Compound Name2-[5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine
PubChem CID14140362
Molecular FormulaC9H7Cl2N5S
Molecular Weight288.16 g/mol
Exact Mass286.98
IUPAC Name2-[5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine
SMILESNC(N)=Nc1nnc(-c2c(Cl)cccc2Cl)s1
InChIInChI=1S/C9H7Cl2N5S/c10-4-2-1-3-5(11)6(4)7-15-16-9(17-7)14-8(12)13/h1-3H,(H4,12,13,14,16)
InChIKeyLSDAKTGOKVYYGS-UHFFFAOYSA-N
XLogP2.42
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 52.42
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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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine?
The IUPAC name of 2-[5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine (CID 14140362) is 2-[5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine.
What is the SMILES notation for 2-[5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine?
The canonical SMILES for 2-[5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine is NC(N)=Nc1nnc(-c2c(Cl)cccc2Cl)s1.
What is the InChIKey of 2-[5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine?
The InChIKey is LSDAKTGOKVYYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N5S/c10-4-2-1-3-5(11)6(4)7-15-16-9(17-7)14-8(12)13/h1-3H,(H4,12,13,14,16).
What are the key properties of 2-[5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine?
2-[5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine has a molecular weight of 288.16 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,6-dichlorophenyl)-1,3,4-thiadiazol-2-yl]guanidine is sourced from PubChem (CID 14140362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).