3-N-phenyl-1,2,4-thiadiazole-3,5-diamine;hydrochloride

C8H9ClN4S — CID 51062515

IUPAC3-N-phenyl-1,2,4-thiadiazole-3,5-diamine;hydrochloride
SMILESCl.Nc1nc(Nc2ccccc2)ns1
InChIInChI=1S/C8H8N4S.ClH/c9-7-11-8(12-13-7)10-6-4-2-1-3-5-6;/h1-5H,(H3,9,10,11,12);1H
InChIKeyKQMCINMUISRUAT-UHFFFAOYSA-N
MW228.71 g/mol
LogP2.29
Rot. Bonds2

About 3-N-phenyl-1,2,4-thiadiazole-3,5-diamine;hydrochloride

3-N-phenyl-1,2,4-thiadiazole-3,5-diamine;hydrochloride (PubChem CID 51062515) has the molecular formula C8H9ClN4S and a molecular weight of 228.71 g/mol. Its IUPAC name is 3-N-phenyl-1,2,4-thiadiazole-3,5-diamine;hydrochloride.

Molecular Properties

Compound Name3-N-phenyl-1,2,4-thiadiazole-3,5-diamine;hydrochloride
PubChem CID51062515
Molecular FormulaC8H9ClN4S
Molecular Weight228.71 g/mol
Exact Mass228.02
IUPAC Name3-N-phenyl-1,2,4-thiadiazole-3,5-diamine;hydrochloride
SMILESCl.Nc1nc(Nc2ccccc2)ns1
InChIInChI=1S/C8H8N4S.ClH/c9-7-11-8(12-13-7)10-6-4-2-1-3-5-6;/h1-5H,(H3,9,10,11,12);1H
InChIKeyKQMCINMUISRUAT-UHFFFAOYSA-N
XLogP2.29
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.71
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-phenyl-1,3-benzothiazole-2,6-diamine
CID 21455645
5-[2-(5-anilino-1,3,4-thiadiazol-2-yl)hydrazinyl]-1,3,4-thiadiazol-2-amine
CID 139226799
5-nitroso-2-N-phenylpyrimidine-2,4,6-triamine
CID 46705553
2-N-phenyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid
CID 162156897
N-(5-amino-1,2,4-thiadiazol-3-yl)-2-chlorobenzenesulfonamide
CID 3395522
hydrazine;N-phenylaniline
CID 159755629
2-N-[2-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-1,2-diphenylethenyl]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 141338844
3-N,5-N-dipyridin-4-yl-1,2,4-thiadiazole-3,5-diamine
CID 42597046
CID 172854912
CID 172854912
(4-amino-6-anilino-1,3,5-triazin-2-yl)methanol
CID 117058513
5-N-methyl-2-N-phenylpyrimidine-2,4,5-triamine
CID 175235509
2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-1-phenylguanidine
CID 71395305

Frequently Asked Questions

What is the IUPAC name of 3-N-phenyl-1,2,4-thiadiazole-3,5-diamine;hydrochloride?
The IUPAC name of 3-N-phenyl-1,2,4-thiadiazole-3,5-diamine;hydrochloride (CID 51062515) is 3-N-phenyl-1,2,4-thiadiazole-3,5-diamine;hydrochloride.
What is the SMILES notation for 3-N-phenyl-1,2,4-thiadiazole-3,5-diamine;hydrochloride?
The canonical SMILES for 3-N-phenyl-1,2,4-thiadiazole-3,5-diamine;hydrochloride is Cl.Nc1nc(Nc2ccccc2)ns1.
What is the InChIKey of 3-N-phenyl-1,2,4-thiadiazole-3,5-diamine;hydrochloride?
The InChIKey is KQMCINMUISRUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S.ClH/c9-7-11-8(12-13-7)10-6-4-2-1-3-5-6;/h1-5H,(H3,9,10,11,12);1H.
What are the key properties of 3-N-phenyl-1,2,4-thiadiazole-3,5-diamine;hydrochloride?
3-N-phenyl-1,2,4-thiadiazole-3,5-diamine;hydrochloride has a molecular weight of 228.71 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-phenyl-1,2,4-thiadiazole-3,5-diamine;hydrochloride is sourced from PubChem (CID 51062515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).