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

C12H15N3S2 — CID 2114326

IUPACN-(2-methylphenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine
SMILESCCCSc1nnc(Nc2ccccc2C)s1
InChIInChI=1S/C12H15N3S2/c1-3-8-16-12-15-14-11(17-12)13-10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3,(H,13,14)
InChIKeyXHCURWOKPZKPES-UHFFFAOYSA-N
MW265.41 g/mol
LogP4.09
Rot. Bonds5

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

N-(2-methylphenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 2114326) has the molecular formula C12H15N3S2 and a molecular weight of 265.41 g/mol. Its IUPAC name is N-(2-methylphenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID2114326
Molecular FormulaC12H15N3S2
Molecular Weight265.41 g/mol
Exact Mass265.07
IUPAC NameN-(2-methylphenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine
SMILESCCCSc1nnc(Nc2ccccc2C)s1
InChIInChI=1S/C12H15N3S2/c1-3-8-16-12-15-14-11(17-12)13-10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3,(H,13,14)
InChIKeyXHCURWOKPZKPES-UHFFFAOYSA-N
XLogP4.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.41
LogP ≤ 54.09
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-propylsulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-methylphenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine (CID 2114326) is N-(2-methylphenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-methylphenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-methylphenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine is CCCSc1nnc(Nc2ccccc2C)s1.
What is the InChIKey of N-(2-methylphenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is XHCURWOKPZKPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S2/c1-3-8-16-12-15-14-11(17-12)13-10-7-5-4-6-9(10)2/h4-7H,3,8H2,1-2H3,(H,13,14).
What are the key properties of N-(2-methylphenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine?
N-(2-methylphenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 265.41 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-5-propylsulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2114326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).