N-tert-butyl-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine

C15H21N3S — CID 65268785

IUPACN-tert-butyl-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1ccc(-c2nsc(NC(C)(C)C)n2)cc1
InChIInChI=1S/C15H21N3S/c1-10(2)11-6-8-12(9-7-11)13-16-14(19-18-13)17-15(3,4)5/h6-10H,1-5H3,(H,16,17,18)
InChIKeyQBWZDWFQXONKFF-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.54
Rot. Bonds3

About N-tert-butyl-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine

N-tert-butyl-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268785) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-tert-butyl-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine
PubChem CID65268785
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-tert-butyl-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1ccc(-c2nsc(NC(C)(C)C)n2)cc1
InChIInChI=1S/C15H21N3S/c1-10(2)11-6-8-12(9-7-11)13-16-14(19-18-13)17-15(3,4)5/h6-10H,1-5H3,(H,16,17,18)
InChIKeyQBWZDWFQXONKFF-UHFFFAOYSA-N
XLogP4.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-tert-butyl-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine (CID 65268785) is N-tert-butyl-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-tert-butyl-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-tert-butyl-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine is CC(C)c1ccc(-c2nsc(NC(C)(C)C)n2)cc1.
What is the InChIKey of N-tert-butyl-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is QBWZDWFQXONKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-10(2)11-6-8-12(9-7-11)13-16-14(19-18-13)17-15(3,4)5/h6-10H,1-5H3,(H,16,17,18).
What are the key properties of N-tert-butyl-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine?
N-tert-butyl-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 275.42 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(4-propan-2-ylphenyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).