3-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-thiadiazol-5-amine

C15H17N5S — CID 65276920

IUPAC3-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCc2ccccc2-n2cccn2)n1
InChIInChI=1S/C15H17N5S/c1-11(2)14-18-15(21-19-14)16-10-12-6-3-4-7-13(12)20-9-5-8-17-20/h3-9,11H,10H2,1-2H3,(H,16,18,19)
InChIKeyKQKDJTCFKIDZDF-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.46
Rot. Bonds5

About 3-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-thiadiazol-5-amine

3-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65276920) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID65276920
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name3-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(NCc2ccccc2-n2cccn2)n1
InChIInChI=1S/C15H17N5S/c1-11(2)14-18-15(21-19-14)16-10-12-6-3-4-7-13(12)20-9-5-8-17-20/h3-9,11H,10H2,1-2H3,(H,16,18,19)
InChIKeyKQKDJTCFKIDZDF-UHFFFAOYSA-N
XLogP3.46
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-thiadiazol-5-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
CID 61167306
N-[[2-(difluoromethoxy)phenyl]methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 133370013
3-propan-2-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,4-thiadiazol-5-amine
CID 133359085
N-[(2-pyrazol-1-ylphenyl)methyl]but-3-yn-2-amine
CID 113482433
N-[(1-methylpyrazol-3-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 82872726
N-[(2-pyrazol-1-ylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 61166529
N-[(2-pyrazol-1-ylphenyl)methyl]heptan-4-amine
CID 61167489
2-methylsulfonyl-N-[(2-pyrazol-1-ylphenyl)methyl]aniline
CID 133270594
3-N,3-N-dimethyl-2-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazine-2,3-diamine
CID 134714332
2-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
CID 103756564
N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide
CID 47454487
N-[(3-methylphenyl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65271290

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-thiadiazol-5-amine (CID 65276920) is 3-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(NCc2ccccc2-n2cccn2)n1.
What is the InChIKey of 3-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is KQKDJTCFKIDZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-11(2)14-18-15(21-19-14)16-10-12-6-3-4-7-13(12)20-9-5-8-17-20/h3-9,11H,10H2,1-2H3,(H,16,18,19).
What are the key properties of 3-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-thiadiazol-5-amine?
3-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 299.40 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65276920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).