3-(1-phenylcyclobutyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine

C15H19N3S — CID 65269279

IUPAC3-(1-phenylcyclobutyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)Nc1nc(C2(c3ccccc3)CCC2)ns1
InChIInChI=1S/C15H19N3S/c1-11(2)16-14-17-13(18-19-14)15(9-6-10-15)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,16,17,18)
InChIKeyMPALNTAMVVAFAS-UHFFFAOYSA-N
MW273.41 g/mol
LogP3.83
Rot. Bonds4

About 3-(1-phenylcyclobutyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine

3-(1-phenylcyclobutyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65269279) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is 3-(1-phenylcyclobutyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(1-phenylcyclobutyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65269279
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC Name3-(1-phenylcyclobutyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)Nc1nc(C2(c3ccccc3)CCC2)ns1
InChIInChI=1S/C15H19N3S/c1-11(2)16-14-17-13(18-19-14)15(9-6-10-15)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,16,17,18)
InChIKeyMPALNTAMVVAFAS-UHFFFAOYSA-N
XLogP3.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylcyclobutyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(1-phenylcyclobutyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65269279) is 3-(1-phenylcyclobutyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(1-phenylcyclobutyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(1-phenylcyclobutyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)Nc1nc(C2(c3ccccc3)CCC2)ns1.
What is the InChIKey of 3-(1-phenylcyclobutyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is MPALNTAMVVAFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-11(2)16-14-17-13(18-19-14)15(9-6-10-15)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,16,17,18).
What are the key properties of 3-(1-phenylcyclobutyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine?
3-(1-phenylcyclobutyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 273.41 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylcyclobutyl)-N-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65269279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).