4-(5-fluoro-2-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine

C14H17FN2O2S — CID 8878537

IUPAC4-(5-fluoro-2-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine
SMILESCOC[C@H](C)Nc1nc(-c2cc(F)ccc2OC)cs1
InChIInChI=1S/C14H17FN2O2S/c1-9(7-18-2)16-14-17-12(8-20-14)11-6-10(15)4-5-13(11)19-3/h4-6,8-9H,7H2,1-3H3,(H,16,17)/t9-/m0/s1
InChIKeyQNKIRVITYSZOSE-VIFPVBQESA-N
MW296.37 g/mol
LogP3.40
Rot. Bonds6

About 4-(5-fluoro-2-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine

4-(5-fluoro-2-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine (PubChem CID 8878537) has the molecular formula C14H17FN2O2S and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine
PubChem CID8878537
Molecular FormulaC14H17FN2O2S
Molecular Weight296.37 g/mol
Exact Mass296.10
IUPAC Name4-(5-fluoro-2-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine
SMILESCOC[C@H](C)Nc1nc(-c2cc(F)ccc2OC)cs1
InChIInChI=1S/C14H17FN2O2S/c1-9(7-18-2)16-14-17-12(8-20-14)11-6-10(15)4-5-13(11)19-3/h4-6,8-9H,7H2,1-3H3,(H,16,17)/t9-/m0/s1
InChIKeyQNKIRVITYSZOSE-VIFPVBQESA-N
XLogP3.40
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(5-fluoro-2-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-(2,5-dimethoxyphenyl)-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine
CID 8750392
N-[(2S)-1-methoxypropan-2-yl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine
CID 2496794
4-(5-fluoro-2-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 8962681
N-(3,5-difluorophenyl)-4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-amine
CID 166379526
4-(5-fluoro-2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962514
N-[1-[[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 86991640
N-[3-fluoro-4-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 17458228
N-[(2S)-1-methoxypropan-2-yl]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 9268587
[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol
CID 116965875
N-[(2S)-1-methoxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 8750414
N-(1-methoxypropan-2-yl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 4884366
N-[(2S)-1-methoxypropan-2-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 2649638

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine (CID 8878537) is 4-(5-fluoro-2-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-fluoro-2-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-fluoro-2-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine is COC[C@H](C)Nc1nc(-c2cc(F)ccc2OC)cs1.
What is the InChIKey of 4-(5-fluoro-2-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine?
The InChIKey is QNKIRVITYSZOSE-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17FN2O2S/c1-9(7-18-2)16-14-17-12(8-20-14)11-6-10(15)4-5-13(11)19-3/h4-6,8-9H,7H2,1-3H3,(H,16,17)/t9-/m0/s1.
What are the key properties of 4-(5-fluoro-2-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine?
4-(5-fluoro-2-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine has a molecular weight of 296.37 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 8878537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).