5-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-thiadiazol-2-amine

C13H14N6S — CID 97101697

IUPAC5-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-thiadiazol-2-amine
SMILESC[C@@H](Cn1cncn1)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C13H14N6S/c1-10(7-19-9-14-8-15-19)16-13-18-17-12(20-13)11-5-3-2-4-6-11/h2-6,8-10H,7H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyCBNHOHUVDXFBRA-JTQLQIEISA-N
MW286.36 g/mol
LogP2.30
Rot. Bonds5

About 5-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-thiadiazol-2-amine

5-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-thiadiazol-2-amine (PubChem CID 97101697) has the molecular formula C13H14N6S and a molecular weight of 286.36 g/mol. Its IUPAC name is 5-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-thiadiazol-2-amine
PubChem CID97101697
Molecular FormulaC13H14N6S
Molecular Weight286.36 g/mol
Exact Mass286.10
IUPAC Name5-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-thiadiazol-2-amine
SMILESC[C@@H](Cn1cncn1)Nc1nnc(-c2ccccc2)s1
InChIInChI=1S/C13H14N6S/c1-10(7-19-9-14-8-15-19)16-13-18-17-12(20-13)11-5-3-2-4-6-11/h2-6,8-10H,7H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyCBNHOHUVDXFBRA-JTQLQIEISA-N
XLogP2.30
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-thiadiazol-2-amine (CID 97101697) is 5-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-thiadiazol-2-amine is C[C@@H](Cn1cncn1)Nc1nnc(-c2ccccc2)s1.
What is the InChIKey of 5-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-thiadiazol-2-amine?
The InChIKey is CBNHOHUVDXFBRA-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14N6S/c1-10(7-19-9-14-8-15-19)16-13-18-17-12(20-13)11-5-3-2-4-6-11/h2-6,8-10H,7H2,1H3,(H,16,18)/t10-/m0/s1.
What are the key properties of 5-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-thiadiazol-2-amine?
5-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-thiadiazol-2-amine has a molecular weight of 286.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 97101697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).