N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine

C9H9N3S — CID 91458622

IUPACN-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(Nc2nncs2)cc1
InChIInChI=1S/C9H9N3S/c1-7-2-4-8(5-3-7)11-9-12-10-6-13-9/h2-6H,1H3,(H,11,12)
InChIKeyMUZULFODBWOAPR-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.59
Rot. Bonds2

About N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine

N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 91458622) has the molecular formula C9H9N3S and a molecular weight of 191.26 g/mol. Its IUPAC name is N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID91458622
Molecular FormulaC9H9N3S
Molecular Weight191.26 g/mol
Exact Mass191.05
IUPAC NameN-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(Nc2nncs2)cc1
InChIInChI=1S/C9H9N3S/c1-7-2-4-8(5-3-7)11-9-12-10-6-13-9/h2-6H,1H3,(H,11,12)
InChIKeyMUZULFODBWOAPR-UHFFFAOYSA-N
XLogP2.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-1,3,4-thiadiazol-2-amine
CID 767363
1-Phenyl-3-(1,3,4-thiadiazol-2-yl)thiourea
CID 870537
1-(4-Methylphenyl)-3-(1,2,4-triazol-4-yl)thiourea
CID 841432
N-phenyl-5-(propan-2-ylthio)-1,3,4-thiadiazol-2-amine
CID 2114383
5-ethylsulfanyl-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 2468617
N5-(4-isopropylphenyl)-1,2,3,4-thiatriazol-5-amine
CID 2826651
N-(4-methylphenyl)-1,2,3,4-thiatriazol-5-amine
CID 738490
N-(3,4-dimethylphenyl)-1,2,3,4-thiatriazol-5-amine
CID 963037
1-(4-Cyanophenyl)-3-(1,3,4-thiadiazol-2-yl)urea
CID 326858
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
5-ethylsulfanyl-N-phenyl-1,3,4-thiadiazol-2-amine
CID 2114156

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine (CID 91458622) is N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine is Cc1ccc(Nc2nncs2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is MUZULFODBWOAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S/c1-7-2-4-8(5-3-7)11-9-12-10-6-13-9/h2-6H,1H3,(H,11,12).
What are the key properties of N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine?
N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 191.26 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 91458622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).