N-(2-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine

C10H11N3S2 — CID 2392034

IUPACN-(2-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine
SMILESCSc1nnc(Nc2ccccc2C)s1
InChIInChI=1S/C10H11N3S2/c1-7-5-3-4-6-8(7)11-9-12-13-10(14-2)15-9/h3-6H,1-2H3,(H,11,12)
InChIKeyAMFQPIZCJNMUFD-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.31
Rot. Bonds3

About N-(2-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine

N-(2-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 2392034) has the molecular formula C10H11N3S2 and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(2-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID2392034
Molecular FormulaC10H11N3S2
Molecular Weight237.35 g/mol
Exact Mass237.04
IUPAC NameN-(2-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine
SMILESCSc1nnc(Nc2ccccc2C)s1
InChIInChI=1S/C10H11N3S2/c1-7-5-3-4-6-8(7)11-9-12-13-10(14-2)15-9/h3-6H,1-2H3,(H,11,12)
InChIKeyAMFQPIZCJNMUFD-UHFFFAOYSA-N
XLogP3.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine (CID 2392034) is N-(2-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine is CSc1nnc(Nc2ccccc2C)s1.
What is the InChIKey of N-(2-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is AMFQPIZCJNMUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S2/c1-7-5-3-4-6-8(7)11-9-12-13-10(14-2)15-9/h3-6H,1-2H3,(H,11,12).
What are the key properties of N-(2-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine?
N-(2-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 237.35 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-5-methylsulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2392034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).