[2-amino-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol

C11H11FN2O2S — CID 82131960

IUPAC[2-amino-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol
SMILESCOc1ccc(-c2nc(N)sc2CO)cc1F
InChIInChI=1S/C11H11FN2O2S/c1-16-8-3-2-6(4-7(8)12)10-9(5-15)17-11(13)14-10/h2-4,15H,5H2,1H3,(H2,13,14)
InChIKeyKJKXENFHBPBQKU-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.03
Rot. Bonds3

About [2-amino-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol

[2-amino-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol (PubChem CID 82131960) has the molecular formula C11H11FN2O2S and a molecular weight of 254.29 g/mol. Its IUPAC name is [2-amino-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-amino-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol
PubChem CID82131960
Molecular FormulaC11H11FN2O2S
Molecular Weight254.29 g/mol
Exact Mass254.05
IUPAC Name[2-amino-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol
SMILESCOc1ccc(-c2nc(N)sc2CO)cc1F
InChIInChI=1S/C11H11FN2O2S/c1-16-8-3-2-6(4-7(8)12)10-9(5-15)17-11(13)14-10/h2-4,15H,5H2,1H3,(H2,13,14)
InChIKeyKJKXENFHBPBQKU-UHFFFAOYSA-N
XLogP2.03
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-amino-4-(3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 82133850
[4-(3-fluoro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methanamine
CID 82049536
2-bromo-5-ethyl-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole
CID 131867399
[2-bromo-4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol
CID 131867498
[4-(3-bromo-4-methoxyphenyl)-2-methoxy-1,3-thiazol-5-yl]methanol
CID 131866785
[3-amino-2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]methanol
CID 82355992
4-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-2,5-diamine
CID 82487308
2-cyclopentyl-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-5-amine
CID 65096025
2-ethyl-5-(3-fluoro-4-methoxyphenyl)-3-methylimidazol-4-amine
CID 65096550
3-ethyl-5-(3-fluoro-4-methoxyphenyl)-2-methylimidazol-4-amine
CID 65096402
3-(3-fluoro-4-methoxyphenyl)-5-methoxy-6-methylpyridin-2-amine
CID 157017577
5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 57445392

Frequently Asked Questions

What is the IUPAC name of [2-amino-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-amino-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol (CID 82131960) is [2-amino-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-amino-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-amino-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol is COc1ccc(-c2nc(N)sc2CO)cc1F.
What is the InChIKey of [2-amino-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is KJKXENFHBPBQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2S/c1-16-8-3-2-6(4-7(8)12)10-9(5-15)17-11(13)14-10/h2-4,15H,5H2,1H3,(H2,13,14).
What are the key properties of [2-amino-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol?
[2-amino-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 254.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82131960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).