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

C9H16N2S — CID 83846934

IUPAC2-(5-tert-butyl-1,3-thiazol-2-yl)ethanamine
SMILESCC(C)(C)c1cnc(CCN)s1
InChIInChI=1S/C9H16N2S/c1-9(2,3)7-6-11-8(12-7)4-5-10/h6H,4-5,10H2,1-3H3
InChIKeyHALVWDFUZYPRSZ-UHFFFAOYSA-N
MW184.31 g/mol
LogP1.94
Rot. Bonds2

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

2-(5-tert-butyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 83846934) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is 2-(5-tert-butyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-tert-butyl-1,3-thiazol-2-yl)ethanamine
PubChem CID83846934
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC Name2-(5-tert-butyl-1,3-thiazol-2-yl)ethanamine
SMILESCC(C)(C)c1cnc(CCN)s1
InChIInChI=1S/C9H16N2S/c1-9(2,3)7-6-11-8(12-7)4-5-10/h6H,4-5,10H2,1-3H3
InChIKeyHALVWDFUZYPRSZ-UHFFFAOYSA-N
XLogP1.94
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 2-(5-tert-butyl-1,3-thiazol-2-yl)ethanamine (CID 83846934) is 2-(5-tert-butyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 2-(5-tert-butyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 2-(5-tert-butyl-1,3-thiazol-2-yl)ethanamine is CC(C)(C)c1cnc(CCN)s1.
What is the InChIKey of 2-(5-tert-butyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is HALVWDFUZYPRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c1-9(2,3)7-6-11-8(12-7)4-5-10/h6H,4-5,10H2,1-3H3.
What are the key properties of 2-(5-tert-butyl-1,3-thiazol-2-yl)ethanamine?
2-(5-tert-butyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 184.31 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 83846934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).