5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine;hydrate;hydrochloride

C8H9Cl2N3OS — CID 11971453

IUPAC5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine;hydrate;hydrochloride
SMILESCl.Nc1nnc(-c2ccccc2Cl)s1.O
InChIInChI=1S/C8H6ClN3S.ClH.H2O/c9-6-4-2-1-3-5(6)7-11-12-8(10)13-7;;/h1-4H,(H2,10,12);1H;1H2
InChIKeyVIVXSYPGDUOKDP-UHFFFAOYSA-N
MW266.15 g/mol
LogP2.04
Rot. Bonds1

About 5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine;hydrate;hydrochloride

5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine;hydrate;hydrochloride (PubChem CID 11971453) has the molecular formula C8H9Cl2N3OS and a molecular weight of 266.15 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine;hydrate;hydrochloride.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine;hydrate;hydrochloride
PubChem CID11971453
Molecular FormulaC8H9Cl2N3OS
Molecular Weight266.15 g/mol
Exact Mass264.98
IUPAC Name5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine;hydrate;hydrochloride
SMILESCl.Nc1nnc(-c2ccccc2Cl)s1.O
InChIInChI=1S/C8H6ClN3S.ClH.H2O/c9-6-4-2-1-3-5(6)7-11-12-8(10)13-7;;/h1-4H,(H2,10,12);1H;1H2
InChIKeyVIVXSYPGDUOKDP-UHFFFAOYSA-N
XLogP2.04
TPSA83.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.15
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine;hydrate;hydrochloride?
The IUPAC name of 5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine;hydrate;hydrochloride (CID 11971453) is 5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine;hydrate;hydrochloride.
What is the SMILES notation for 5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine;hydrate;hydrochloride?
The canonical SMILES for 5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine;hydrate;hydrochloride is Cl.Nc1nnc(-c2ccccc2Cl)s1.O.
What is the InChIKey of 5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine;hydrate;hydrochloride?
The InChIKey is VIVXSYPGDUOKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3S.ClH.H2O/c9-6-4-2-1-3-5(6)7-11-12-8(10)13-7;;/h1-4H,(H2,10,12);1H;1H2.
What are the key properties of 5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine;hydrate;hydrochloride?
5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine;hydrate;hydrochloride has a molecular weight of 266.15 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine;hydrate;hydrochloride is sourced from PubChem (CID 11971453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).