3-[2-[(1S,2R)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol

C12H12N2OS — CID 66714511

IUPAC3-[2-[(1S,2R)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol
SMILESN[C@@H]1C[C@@H]1c1ncc(-c2cccc(O)c2)s1
InChIInChI=1S/C12H12N2OS/c13-10-5-9(10)12-14-6-11(16-12)7-2-1-3-8(15)4-7/h1-4,6,9-10,15H,5,13H2/t9-,10+/m0/s1
InChIKeyNUCZYJKYYXTUOF-VHSXEESVSA-N
MW232.31 g/mol
LogP2.33
Rot. Bonds2

About 3-[2-[(1S,2R)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol

3-[2-[(1S,2R)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol (PubChem CID 66714511) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 3-[2-[(1S,2R)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol.

Molecular Properties

Compound Name3-[2-[(1S,2R)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol
PubChem CID66714511
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name3-[2-[(1S,2R)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol
SMILESN[C@@H]1C[C@@H]1c1ncc(-c2cccc(O)c2)s1
InChIInChI=1S/C12H12N2OS/c13-10-5-9(10)12-14-6-11(16-12)7-2-1-3-8(15)4-7/h1-4,6,9-10,15H,5,13H2/t9-,10+/m0/s1
InChIKeyNUCZYJKYYXTUOF-VHSXEESVSA-N
XLogP2.33
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1S,2R)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol?
The IUPAC name of 3-[2-[(1S,2R)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol (CID 66714511) is 3-[2-[(1S,2R)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol.
What is the SMILES notation for 3-[2-[(1S,2R)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol?
The canonical SMILES for 3-[2-[(1S,2R)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol is N[C@@H]1C[C@@H]1c1ncc(-c2cccc(O)c2)s1.
What is the InChIKey of 3-[2-[(1S,2R)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol?
The InChIKey is NUCZYJKYYXTUOF-VHSXEESVSA-N. The full InChI is InChI=1S/C12H12N2OS/c13-10-5-9(10)12-14-6-11(16-12)7-2-1-3-8(15)4-7/h1-4,6,9-10,15H,5,13H2/t9-,10+/m0/s1.
What are the key properties of 3-[2-[(1S,2R)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol?
3-[2-[(1S,2R)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol has a molecular weight of 232.31 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1S,2R)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol is sourced from PubChem (CID 66714511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).