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

C8H8N4S — CID 738490

IUPACN-(4-methylphenyl)thiatriazol-5-amine
SMILESCc1ccc(Nc2nnns2)cc1
InChIInChI=1S/C8H8N4S/c1-6-2-4-7(5-3-6)9-8-10-11-12-13-8/h2-5H,1H3,(H,9,10,12)
InChIKeyDRCBZLVTEZFGJZ-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.99
Rot. Bonds2

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

N-(4-methylphenyl)thiatriazol-5-amine (PubChem CID 738490) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is N-(4-methylphenyl)thiatriazol-5-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)thiatriazol-5-amine
PubChem CID738490
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC NameN-(4-methylphenyl)thiatriazol-5-amine
SMILESCc1ccc(Nc2nnns2)cc1
InChIInChI=1S/C8H8N4S/c1-6-2-4-7(5-3-6)9-8-10-11-12-13-8/h2-5H,1H3,(H,9,10,12)
InChIKeyDRCBZLVTEZFGJZ-UHFFFAOYSA-N
XLogP1.99
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Anilino-1,2,3,4-thiatriazole
CID 83115
N-(4-fluorophenyl)-1,2,3,4-thiatriazol-5-amine
CID 718655
1-(4-Methylphenyl)-1h-tetrazol-5-amine
CID 283415
5-ethylsulfanyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 2468617
N-phenyl-5-phenyldiazenyl-1,3,4-thiadiazol-2-amine
CID 135971353
N5-(4-isopropylphenyl)-1,2,3,4-thiatriazol-5-amine
CID 2826651
N-(3,4-dimethylphenyl)-1,2,3,4-thiatriazol-5-amine
CID 963037
3H-1,2,4-Triazole-3-thione, 5-amino-2,4-dihydro-4-(4-methylphenyl)-
CID 2729445
5-(benzylsulfanyl)-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 1238844
5-[(4-methylbenzyl)thio]-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 1301810
N-(2-methylphenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine
CID 2114326
N-(2-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine
CID 2392034

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)thiatriazol-5-amine?
The IUPAC name of N-(4-methylphenyl)thiatriazol-5-amine (CID 738490) is N-(4-methylphenyl)thiatriazol-5-amine.
What is the SMILES notation for N-(4-methylphenyl)thiatriazol-5-amine?
The canonical SMILES for N-(4-methylphenyl)thiatriazol-5-amine is Cc1ccc(Nc2nnns2)cc1.
What is the InChIKey of N-(4-methylphenyl)thiatriazol-5-amine?
The InChIKey is DRCBZLVTEZFGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S/c1-6-2-4-7(5-3-6)9-8-10-11-12-13-8/h2-5H,1H3,(H,9,10,12).
What are the key properties of N-(4-methylphenyl)thiatriazol-5-amine?
N-(4-methylphenyl)thiatriazol-5-amine has a molecular weight of 192.25 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)thiatriazol-5-amine is sourced from PubChem (CID 738490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).