N-(4-chlorophenyl)thiatriazol-5-amine

C7H5ClN4S — CID 936108

IUPACN-(4-chlorophenyl)thiatriazol-5-amine
SMILESClc1ccc(Nc2nnns2)cc1
InChIInChI=1S/C7H5ClN4S/c8-5-1-3-6(4-2-5)9-7-10-11-12-13-7/h1-4H,(H,9,10,12)
InChIKeyYFYMEIRRZFZFGO-UHFFFAOYSA-N
MW212.67 g/mol
LogP2.33
Rot. Bonds2

About N-(4-chlorophenyl)thiatriazol-5-amine

N-(4-chlorophenyl)thiatriazol-5-amine (PubChem CID 936108) has the molecular formula C7H5ClN4S and a molecular weight of 212.67 g/mol. Its IUPAC name is N-(4-chlorophenyl)thiatriazol-5-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)thiatriazol-5-amine
PubChem CID936108
Molecular FormulaC7H5ClN4S
Molecular Weight212.67 g/mol
Exact Mass211.99
IUPAC NameN-(4-chlorophenyl)thiatriazol-5-amine
SMILESClc1ccc(Nc2nnns2)cc1
InChIInChI=1S/C7H5ClN4S/c8-5-1-3-6(4-2-5)9-7-10-11-12-13-7/h1-4H,(H,9,10,12)
InChIKeyYFYMEIRRZFZFGO-UHFFFAOYSA-N
XLogP2.33
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.67
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)thiatriazol-5-amine?
The IUPAC name of N-(4-chlorophenyl)thiatriazol-5-amine (CID 936108) is N-(4-chlorophenyl)thiatriazol-5-amine.
What is the SMILES notation for N-(4-chlorophenyl)thiatriazol-5-amine?
The canonical SMILES for N-(4-chlorophenyl)thiatriazol-5-amine is Clc1ccc(Nc2nnns2)cc1.
What is the InChIKey of N-(4-chlorophenyl)thiatriazol-5-amine?
The InChIKey is YFYMEIRRZFZFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4S/c8-5-1-3-6(4-2-5)9-7-10-11-12-13-7/h1-4H,(H,9,10,12).
What are the key properties of N-(4-chlorophenyl)thiatriazol-5-amine?
N-(4-chlorophenyl)thiatriazol-5-amine has a molecular weight of 212.67 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)thiatriazol-5-amine is sourced from PubChem (CID 936108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).