5-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,3,4-thiadiazol-2-amine

C14H23N5S — CID 132969405

IUPAC5-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cc(C)n(CCCNc2nnc(C(C)(C)C)s2)n1
InChIInChI=1S/C14H23N5S/c1-10-9-11(2)19(18-10)8-6-7-15-13-17-16-12(20-13)14(3,4)5/h9H,6-8H2,1-5H3,(H,15,17)
InChIKeyXXIZJDWWPKXKPZ-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.15
Rot. Bonds5

About 5-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,3,4-thiadiazol-2-amine

5-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,3,4-thiadiazol-2-amine (PubChem CID 132969405) has the molecular formula C14H23N5S and a molecular weight of 293.44 g/mol. Its IUPAC name is 5-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,3,4-thiadiazol-2-amine
PubChem CID132969405
Molecular FormulaC14H23N5S
Molecular Weight293.44 g/mol
Exact Mass293.17
IUPAC Name5-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,3,4-thiadiazol-2-amine
SMILESCc1cc(C)n(CCCNc2nnc(C(C)(C)C)s2)n1
InChIInChI=1S/C14H23N5S/c1-10-9-11(2)19(18-10)8-6-7-15-13-17-16-12(20-13)14(3,4)5/h9H,6-8H2,1-5H3,(H,15,17)
InChIKeyXXIZJDWWPKXKPZ-UHFFFAOYSA-N
XLogP3.15
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,3,4-thiadiazol-2-amine (CID 132969405) is 5-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,3,4-thiadiazol-2-amine is Cc1cc(C)n(CCCNc2nnc(C(C)(C)C)s2)n1.
What is the InChIKey of 5-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is XXIZJDWWPKXKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5S/c1-10-9-11(2)19(18-10)8-6-7-15-13-17-16-12(20-13)14(3,4)5/h9H,6-8H2,1-5H3,(H,15,17).
What are the key properties of 5-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,3,4-thiadiazol-2-amine?
5-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 293.44 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 132969405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).