3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]phenol

C16H13FN2OS — CID 43628520

IUPAC3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]phenol
SMILESOc1cccc(NCc2csc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C16H13FN2OS/c17-12-6-4-11(5-7-12)16-19-14(10-21-16)9-18-13-2-1-3-15(20)8-13/h1-8,10,18,20H,9H2
InChIKeyWFUYAZYPWMSCPD-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.27
Rot. Bonds4

About 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]phenol

3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]phenol (PubChem CID 43628520) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]phenol.

Molecular Properties

Compound Name3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]phenol
PubChem CID43628520
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC Name3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]phenol
SMILESOc1cccc(NCc2csc(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C16H13FN2OS/c17-12-6-4-11(5-7-12)16-19-14(10-21-16)9-18-13-2-1-3-15(20)8-13/h1-8,10,18,20H,9H2
InChIKeyWFUYAZYPWMSCPD-UHFFFAOYSA-N
XLogP4.27
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]aniline
CID 43407819
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylaniline
CID 43407810
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]thiophen-3-amine
CID 66350578
3-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]phenol
CID 107921704
N-(3-hydroxyphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 78783427
N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-2-methylpyridin-3-amine
CID 79042851
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol
CID 43407823
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]acetic acid
CID 43628522
2-bromo-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine
CID 115614858
2-chloro-N-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]prop-2-en-1-amine
CID 113238370
1-[[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclohexan-1-ol
CID 119108451
3-[[(R)-methylsulfinyl]methyl]-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]aniline
CID 97064705

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]phenol?
The IUPAC name of 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]phenol (CID 43628520) is 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]phenol.
What is the SMILES notation for 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]phenol?
The canonical SMILES for 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]phenol is Oc1cccc(NCc2csc(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]phenol?
The InChIKey is WFUYAZYPWMSCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS/c17-12-6-4-11(5-7-12)16-19-14(10-21-16)9-18-13-2-1-3-15(20)8-13/h1-8,10,18,20H,9H2.
What are the key properties of 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]phenol?
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]phenol has a molecular weight of 300.36 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylamino]phenol is sourced from PubChem (CID 43628520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).