2-(5-chloro-1,3-thiazol-2-yl)-2-propan-2-yloxyethanamine

C8H13ClN2OS — CID 107125783

IUPAC2-(5-chloro-1,3-thiazol-2-yl)-2-propan-2-yloxyethanamine
SMILESCC(C)OC(CN)c1ncc(Cl)s1
InChIInChI=1S/C8H13ClN2OS/c1-5(2)12-6(3-10)8-11-4-7(9)13-8/h4-6H,3,10H2,1-2H3
InChIKeyUNKRKCGKCYNGCO-UHFFFAOYSA-N
MW220.72 g/mol
LogP2.22
Rot. Bonds4

About 2-(5-chloro-1,3-thiazol-2-yl)-2-propan-2-yloxyethanamine

2-(5-chloro-1,3-thiazol-2-yl)-2-propan-2-yloxyethanamine (PubChem CID 107125783) has the molecular formula C8H13ClN2OS and a molecular weight of 220.72 g/mol. Its IUPAC name is 2-(5-chloro-1,3-thiazol-2-yl)-2-propan-2-yloxyethanamine.

Molecular Properties

Compound Name2-(5-chloro-1,3-thiazol-2-yl)-2-propan-2-yloxyethanamine
PubChem CID107125783
Molecular FormulaC8H13ClN2OS
Molecular Weight220.72 g/mol
Exact Mass220.04
IUPAC Name2-(5-chloro-1,3-thiazol-2-yl)-2-propan-2-yloxyethanamine
SMILESCC(C)OC(CN)c1ncc(Cl)s1
InChIInChI=1S/C8H13ClN2OS/c1-5(2)12-6(3-10)8-11-4-7(9)13-8/h4-6H,3,10H2,1-2H3
InChIKeyUNKRKCGKCYNGCO-UHFFFAOYSA-N
XLogP2.22
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.72
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-2-propan-2-yloxyethanamine?
The IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-2-propan-2-yloxyethanamine (CID 107125783) is 2-(5-chloro-1,3-thiazol-2-yl)-2-propan-2-yloxyethanamine.
What is the SMILES notation for 2-(5-chloro-1,3-thiazol-2-yl)-2-propan-2-yloxyethanamine?
The canonical SMILES for 2-(5-chloro-1,3-thiazol-2-yl)-2-propan-2-yloxyethanamine is CC(C)OC(CN)c1ncc(Cl)s1.
What is the InChIKey of 2-(5-chloro-1,3-thiazol-2-yl)-2-propan-2-yloxyethanamine?
The InChIKey is UNKRKCGKCYNGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2OS/c1-5(2)12-6(3-10)8-11-4-7(9)13-8/h4-6H,3,10H2,1-2H3.
What are the key properties of 2-(5-chloro-1,3-thiazol-2-yl)-2-propan-2-yloxyethanamine?
2-(5-chloro-1,3-thiazol-2-yl)-2-propan-2-yloxyethanamine has a molecular weight of 220.72 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-thiazol-2-yl)-2-propan-2-yloxyethanamine is sourced from PubChem (CID 107125783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).