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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Related Compounds

3-[2-[(1S,2S)-2-aminocyclopropyl]-1,3-thiazol-5-yl]phenol;hydrochloride
CID 162323507
3-[5-(2-aminocyclopropyl)thiophen-2-yl]phenol
CID 66714894
3-[5-(2-aminocyclopropyl)-1,3-thiazol-2-yl]phenol;hydrochloride
CID 66714329
3-[5-[(1S,2R)-2-aminocyclopropyl]-2-pyridinyl]phenol;dihydrochloride
CID 66714505
2-cyclopentyl-5-phenyl-1,3-thiazole
CID 174113230
3-[4-[(1S,2R)-2-aminocyclopropyl]-3-methoxyphenyl]phenol;hydrochloride
CID 66714565
2-(azetidin-3-yl)-5-phenyl-1,3-thiazole
CID 162698247
3-[5-[2-[(4-aminocyclohexyl)amino]cyclopropyl]-1,3-thiazol-2-yl]phenol
CID 71553401
N-[(4S)-1-azabicyclo[2.2.1]heptan-3-yl]-5-(3-hydroxyphenyl)-1,3-thiazole-2-carboxamide
CID 20815096
3-(5-cyclopropyl-2-pyridinyl)phenol
CID 134389547
3-[4,5-bis(3-hydroxyphenyl)thiophen-2-yl]phenol
CID 44542800
4-[6-[(1R,2R)-2-aminocyclopropyl]-3-pyridinyl]phenol;hydrochloride
CID 66714293

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).