2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine

C8H14N2S — CID 25219193

IUPAC2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
SMILESCC(C)c1nc(CCN)cs1
InChIInChI=1S/C8H14N2S/c1-6(2)8-10-7(3-4-9)5-11-8/h5-6H,3-4,9H2,1-2H3
InChIKeyWMHRCWKIEPTSAU-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.77
Rot. Bonds3

About 2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine

2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine (PubChem CID 25219193) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
PubChem CID25219193
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
SMILESCC(C)c1nc(CCN)cs1
InChIInChI=1S/C8H14N2S/c1-6(2)8-10-7(3-4-9)5-11-8/h5-6H,3-4,9H2,1-2H3
InChIKeyWMHRCWKIEPTSAU-UHFFFAOYSA-N
XLogP1.77
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of 2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine (CID 25219193) is 2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for 2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine is CC(C)c1nc(CCN)cs1.
What is the InChIKey of 2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is WMHRCWKIEPTSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-6(2)8-10-7(3-4-9)5-11-8/h5-6H,3-4,9H2,1-2H3.
What are the key properties of 2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine?
2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 170.28 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 25219193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).