5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-amine

C9H7Cl2N3S — CID 676566

IUPAC5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(Cc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C9H7Cl2N3S/c10-6-2-1-5(7(11)4-6)3-8-13-14-9(12)15-8/h1-2,4H,3H2,(H2,12,14)
InChIKeyVWFJPGHKRXMPGJ-UHFFFAOYSA-N
MW260.15 g/mol
LogP3.02
Rot. Bonds2

About 5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-amine

5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 676566) has the molecular formula C9H7Cl2N3S and a molecular weight of 260.15 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID676566
Molecular FormulaC9H7Cl2N3S
Molecular Weight260.15 g/mol
Exact Mass258.97
IUPAC Name5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(Cc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C9H7Cl2N3S/c10-6-2-1-5(7(11)4-6)3-8-13-14-9(12)15-8/h1-2,4H,3H2,(H2,12,14)
InChIKeyVWFJPGHKRXMPGJ-UHFFFAOYSA-N
XLogP3.02
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-amine (CID 676566) is 5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-amine is Nc1nnc(Cc2ccc(Cl)cc2Cl)s1.
What is the InChIKey of 5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is VWFJPGHKRXMPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3S/c10-6-2-1-5(7(11)4-6)3-8-13-14-9(12)15-8/h1-2,4H,3H2,(H2,12,14).
What are the key properties of 5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-amine?
5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 260.15 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 676566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).