2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanamine

C10H16N2S — CID 82670376

IUPAC2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanamine
SMILESCC1(C)CC1c1nc(CCN)cs1
InChIInChI=1S/C10H16N2S/c1-10(2)5-8(10)9-12-7(3-4-11)6-13-9/h6,8H,3-5,11H2,1-2H3
InChIKeyXEOHVQUHPUQYOC-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.16
Rot. Bonds3

About 2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanamine

2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 82670376) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanamine
PubChem CID82670376
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanamine
SMILESCC1(C)CC1c1nc(CCN)cs1
InChIInChI=1S/C10H16N2S/c1-10(2)5-8(10)9-12-7(3-4-11)6-13-9/h6,8H,3-5,11H2,1-2H3
InChIKeyXEOHVQUHPUQYOC-UHFFFAOYSA-N
XLogP2.16
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanamine (CID 82670376) is 2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanamine is CC1(C)CC1c1nc(CCN)cs1.
What is the InChIKey of 2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is XEOHVQUHPUQYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-10(2)5-8(10)9-12-7(3-4-11)6-13-9/h6,8H,3-5,11H2,1-2H3.
What are the key properties of 2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanamine?
2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 196.32 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-dimethylcyclopropyl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 82670376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).