1-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)ethanamine

C12H20N2S — CID 82436993

IUPAC1-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)ethanamine
SMILESCC(N)c1sc(C(C)(C)C)nc1C1CC1
InChIInChI=1S/C12H20N2S/c1-7(13)10-9(8-5-6-8)14-11(15-10)12(2,3)4/h7-8H,5-6,13H2,1-4H3
InChIKeyDSJMMFLFKXNTQP-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.34
Rot. Bonds2

About 1-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)ethanamine

1-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 82436993) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)ethanamine
PubChem CID82436993
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name1-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)ethanamine
SMILESCC(N)c1sc(C(C)(C)C)nc1C1CC1
InChIInChI=1S/C12H20N2S/c1-7(13)10-9(8-5-6-8)14-11(15-10)12(2,3)4/h7-8H,5-6,13H2,1-4H3
InChIKeyDSJMMFLFKXNTQP-UHFFFAOYSA-N
XLogP3.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of 1-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)ethanamine (CID 82436993) is 1-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for 1-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for 1-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)ethanamine is CC(N)c1sc(C(C)(C)C)nc1C1CC1.
What is the InChIKey of 1-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is DSJMMFLFKXNTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-7(13)10-9(8-5-6-8)14-11(15-10)12(2,3)4/h7-8H,5-6,13H2,1-4H3.
What are the key properties of 1-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)ethanamine?
1-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 224.37 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 82436993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).