4-(2-tert-butyl-1,3-thiazol-4-yl)butan-2-amine

C11H20N2S — CID 116888399

IUPAC4-(2-tert-butyl-1,3-thiazol-4-yl)butan-2-amine
SMILESCC(N)CCc1csc(C(C)(C)C)n1
InChIInChI=1S/C11H20N2S/c1-8(12)5-6-9-7-14-10(13-9)11(2,3)4/h7-8H,5-6,12H2,1-4H3
InChIKeyJEIYPEWMEKYFCA-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.72
Rot. Bonds3

About 4-(2-tert-butyl-1,3-thiazol-4-yl)butan-2-amine

4-(2-tert-butyl-1,3-thiazol-4-yl)butan-2-amine (PubChem CID 116888399) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 4-(2-tert-butyl-1,3-thiazol-4-yl)butan-2-amine.

Molecular Properties

Compound Name4-(2-tert-butyl-1,3-thiazol-4-yl)butan-2-amine
PubChem CID116888399
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name4-(2-tert-butyl-1,3-thiazol-4-yl)butan-2-amine
SMILESCC(N)CCc1csc(C(C)(C)C)n1
InChIInChI=1S/C11H20N2S/c1-8(12)5-6-9-7-14-10(13-9)11(2,3)4/h7-8H,5-6,12H2,1-4H3
InChIKeyJEIYPEWMEKYFCA-UHFFFAOYSA-N
XLogP2.72
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-1,3-thiazol-4-yl)butan-2-amine?
The IUPAC name of 4-(2-tert-butyl-1,3-thiazol-4-yl)butan-2-amine (CID 116888399) is 4-(2-tert-butyl-1,3-thiazol-4-yl)butan-2-amine.
What is the SMILES notation for 4-(2-tert-butyl-1,3-thiazol-4-yl)butan-2-amine?
The canonical SMILES for 4-(2-tert-butyl-1,3-thiazol-4-yl)butan-2-amine is CC(N)CCc1csc(C(C)(C)C)n1.
What is the InChIKey of 4-(2-tert-butyl-1,3-thiazol-4-yl)butan-2-amine?
The InChIKey is JEIYPEWMEKYFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-8(12)5-6-9-7-14-10(13-9)11(2,3)4/h7-8H,5-6,12H2,1-4H3.
What are the key properties of 4-(2-tert-butyl-1,3-thiazol-4-yl)butan-2-amine?
4-(2-tert-butyl-1,3-thiazol-4-yl)butan-2-amine has a molecular weight of 212.36 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butyl-1,3-thiazol-4-yl)butan-2-amine is sourced from PubChem (CID 116888399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).