N-benzyl-3-phenyl-1,2,4-thiadiazol-5-amine

C15H13N3S — CID 563747

IUPACN-benzyl-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESc1ccc(CNc2nc(-c3ccccc3)ns2)cc1
InChIInChI=1S/C15H13N3S/c1-3-7-12(8-4-1)11-16-15-17-14(18-19-15)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,17,18)
InChIKeyNUOCPQITAQQHRD-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.82
Rot. Bonds4

About N-benzyl-3-phenyl-1,2,4-thiadiazol-5-amine

N-benzyl-3-phenyl-1,2,4-thiadiazol-5-amine (PubChem CID 563747) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is N-benzyl-3-phenyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-benzyl-3-phenyl-1,2,4-thiadiazol-5-amine
PubChem CID563747
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC NameN-benzyl-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESc1ccc(CNc2nc(-c3ccccc3)ns2)cc1
InChIInChI=1S/C15H13N3S/c1-3-7-12(8-4-1)11-16-15-17-14(18-19-15)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,17,18)
InChIKeyNUOCPQITAQQHRD-UHFFFAOYSA-N
XLogP3.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,4-Thiadiazol-5-amine, 3-phenyl-
CID 28561
1,2,4-Thiadiazole, 3,5-diphenyl-
CID 165184
3-(4-Fluorophenyl)-1,2,4-thiadiazol-5-amine
CID 16447293
5-Phenyl-1,2,4-thiadiazol-3-amine
CID 554203
N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 852344
N,3-diphenyl-1,2,4-thiadiazol-5-amine
CID 8122161
1-(3-Phenyl-(1,2,4)thiadiazol-5-yl)-piperazine
CID 2777760
5-Chloro-3-phenyl-1,2,4-thiadiazole
CID 32262
N-methyl-2,3-diphenyl-1,2,4-thiadiazol-2-ium-5-amine
CID 509132
N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 852345
2,2-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 4182197
2-methyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 4182320

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-phenyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-benzyl-3-phenyl-1,2,4-thiadiazol-5-amine (CID 563747) is N-benzyl-3-phenyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-benzyl-3-phenyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-benzyl-3-phenyl-1,2,4-thiadiazol-5-amine is c1ccc(CNc2nc(-c3ccccc3)ns2)cc1.
What is the InChIKey of N-benzyl-3-phenyl-1,2,4-thiadiazol-5-amine?
The InChIKey is NUOCPQITAQQHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c1-3-7-12(8-4-1)11-16-15-17-14(18-19-15)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,17,18).
What are the key properties of N-benzyl-3-phenyl-1,2,4-thiadiazol-5-amine?
N-benzyl-3-phenyl-1,2,4-thiadiazol-5-amine has a molecular weight of 267.36 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-phenyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 563747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).