5-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-1,3-thiazol-2-amine

C13H16FN3OS — CID 89243577

IUPAC5-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-1,3-thiazol-2-amine
SMILESCO[C@H](c1ccc(-c2cnc(N)s2)cc1)[C@H](N)CF
InChIInChI=1S/C13H16FN3OS/c1-18-12(10(15)6-14)9-4-2-8(3-5-9)11-7-17-13(16)19-11/h2-5,7,10,12H,6,15H2,1H3,(H2,16,17)/t10-,12-/m1/s1
InChIKeyNGPJNAORTYPJLE-ZYHUDNBSSA-N
MW281.36 g/mol
LogP2.38
Rot. Bonds5

About 5-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-1,3-thiazol-2-amine

5-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-1,3-thiazol-2-amine (PubChem CID 89243577) has the molecular formula C13H16FN3OS and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-1,3-thiazol-2-amine
PubChem CID89243577
Molecular FormulaC13H16FN3OS
Molecular Weight281.36 g/mol
Exact Mass281.10
IUPAC Name5-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-1,3-thiazol-2-amine
SMILESCO[C@H](c1ccc(-c2cnc(N)s2)cc1)[C@H](N)CF
InChIInChI=1S/C13H16FN3OS/c1-18-12(10(15)6-14)9-4-2-8(3-5-9)11-7-17-13(16)19-11/h2-5,7,10,12H,6,15H2,1H3,(H2,16,17)/t10-,12-/m1/s1
InChIKeyNGPJNAORTYPJLE-ZYHUDNBSSA-N
XLogP2.38
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-1,3-thiazol-2-amine (CID 89243577) is 5-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-1,3-thiazol-2-amine is CO[C@H](c1ccc(-c2cnc(N)s2)cc1)[C@H](N)CF.
What is the InChIKey of 5-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-1,3-thiazol-2-amine?
The InChIKey is NGPJNAORTYPJLE-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H16FN3OS/c1-18-12(10(15)6-14)9-4-2-8(3-5-9)11-7-17-13(16)19-11/h2-5,7,10,12H,6,15H2,1H3,(H2,16,17)/t10-,12-/m1/s1.
What are the key properties of 5-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-1,3-thiazol-2-amine?
5-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-1,3-thiazol-2-amine has a molecular weight of 281.36 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 89243577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).