N-[2-(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)ethyl]propan-2-amine

C18H26N2S — CID 79782811

IUPACN-[2-(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1sc(C(C)(C)C)nc1-c1ccccc1
InChIInChI=1S/C18H26N2S/c1-13(2)19-12-11-15-16(14-9-7-6-8-10-14)20-17(21-15)18(3,4)5/h6-10,13,19H,11-12H2,1-5H3
InChIKeyZKIGYYRBHZHBNL-UHFFFAOYSA-N
MW302.49 g/mol
LogP4.65
Rot. Bonds5

About N-[2-(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)ethyl]propan-2-amine

N-[2-(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)ethyl]propan-2-amine (PubChem CID 79782811) has the molecular formula C18H26N2S and a molecular weight of 302.49 g/mol. Its IUPAC name is N-[2-(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
PubChem CID79782811
Molecular FormulaC18H26N2S
Molecular Weight302.49 g/mol
Exact Mass302.18
IUPAC NameN-[2-(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
SMILESCC(C)NCCc1sc(C(C)(C)C)nc1-c1ccccc1
InChIInChI=1S/C18H26N2S/c1-13(2)19-12-11-15-16(14-9-7-6-8-10-14)20-17(21-15)18(3,4)5/h6-10,13,19H,11-12H2,1-5H3
InChIKeyZKIGYYRBHZHBNL-UHFFFAOYSA-N
XLogP4.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.49
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)ethyl]propan-2-amine (CID 79782811) is N-[2-(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)ethyl]propan-2-amine is CC(C)NCCc1sc(C(C)(C)C)nc1-c1ccccc1.
What is the InChIKey of N-[2-(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)ethyl]propan-2-amine?
The InChIKey is ZKIGYYRBHZHBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2S/c1-13(2)19-12-11-15-16(14-9-7-6-8-10-14)20-17(21-15)18(3,4)5/h6-10,13,19H,11-12H2,1-5H3.
What are the key properties of N-[2-(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)ethyl]propan-2-amine?
N-[2-(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)ethyl]propan-2-amine has a molecular weight of 302.49 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)ethyl]propan-2-amine is sourced from PubChem (CID 79782811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).