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

C15H13N3S — CID 5270839

IUPACN-(4-methylphenyl)-5-phenyl-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(Nc2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C15H13N3S/c1-11-7-9-13(10-8-11)16-15-18-17-14(19-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,16,18)
InChIKeyZGLMLPMDTBFJBA-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.26
Rot. Bonds3

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

N-(4-methylphenyl)-5-phenyl-1,3,4-thiadiazol-2-amine (PubChem CID 5270839) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is N-(4-methylphenyl)-5-phenyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-5-phenyl-1,3,4-thiadiazol-2-amine
PubChem CID5270839
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC NameN-(4-methylphenyl)-5-phenyl-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(Nc2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C15H13N3S/c1-11-7-9-13(10-8-11)16-15-18-17-14(19-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,16,18)
InChIKeyZGLMLPMDTBFJBA-UHFFFAOYSA-N
XLogP4.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-5-phenyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(4-methylphenyl)-5-phenyl-1,3,4-thiadiazol-2-amine (CID 5270839) is N-(4-methylphenyl)-5-phenyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(4-methylphenyl)-5-phenyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(4-methylphenyl)-5-phenyl-1,3,4-thiadiazol-2-amine is Cc1ccc(Nc2nnc(-c3ccccc3)s2)cc1.
What is the InChIKey of N-(4-methylphenyl)-5-phenyl-1,3,4-thiadiazol-2-amine?
The InChIKey is ZGLMLPMDTBFJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c1-11-7-9-13(10-8-11)16-15-18-17-14(19-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,16,18).
What are the key properties of N-(4-methylphenyl)-5-phenyl-1,3,4-thiadiazol-2-amine?
N-(4-methylphenyl)-5-phenyl-1,3,4-thiadiazol-2-amine has a molecular weight of 267.36 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-5-phenyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 5270839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).