[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methanol

C16H13FN2OS — CID 146949885

IUPAC[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methanol
SMILESOCc1cccc(-c2csc(Nc3ccccc3F)n2)c1
InChIInChI=1S/C16H13FN2OS/c17-13-6-1-2-7-14(13)18-16-19-15(10-21-16)12-5-3-4-11(8-12)9-20/h1-8,10,20H,9H2,(H,18,19)
InChIKeyAINGWJWASGRHBW-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.19
Rot. Bonds4

About [3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methanol

[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methanol (PubChem CID 146949885) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is [3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methanol
PubChem CID146949885
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC Name[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methanol
SMILESOCc1cccc(-c2csc(Nc3ccccc3F)n2)c1
InChIInChI=1S/C16H13FN2OS/c17-13-6-1-2-7-14(13)18-16-19-15(10-21-16)12-5-3-4-11(8-12)9-20/h1-8,10,20H,9H2,(H,18,19)
InChIKeyAINGWJWASGRHBW-UHFFFAOYSA-N
XLogP4.19
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 ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-Phenyl-1,3-thiazol-2-yl)amino]phenol
CID 697280
4-{[4-(2,4-Difluorophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 779213
4-{[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 972868
4-(4-(2-Fluorophenyl)thiazol-2-ylamino)phenol
CID 25100438
N-aryl-4-aryl-1,3-thiazole-2-amine, 8
CID 25100439
3-(4-(4-Hydroxyphenyl)thiazol-2-ylamino)phenol
CID 3324368
3-{[4-(2,4-Difluorophenyl)-1,3-thiazol-2-yl]amino}phenol
CID 694593
3-{2-[(5-Fluoro-2-Hydroxyphenyl)amino]-1,3-Thiazol-4-Yl}benzonitrile
CID 57519742
3-[[4-(4-(18F)fluoro-2-fluorophenyl)-1,3-thiazol-2-yl]amino](18F)phenol
CID 168272144
4-{[4-(4-Methylphenyl)-1,3-thiazol-2-yl]amino}phenol
CID 887113
4-{2-[(4-Hydroxyphenyl)amino]-1,3-thiazol-4-yl}phenol
CID 972292
3-[2-(2-Methylanilino)-1,3-thiazol-4-yl]benzoic acid
CID 147535030

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methanol?
The IUPAC name of [3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methanol (CID 146949885) is [3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methanol.
What is the SMILES notation for [3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methanol?
The canonical SMILES for [3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methanol is OCc1cccc(-c2csc(Nc3ccccc3F)n2)c1.
What is the InChIKey of [3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methanol?
The InChIKey is AINGWJWASGRHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS/c17-13-6-1-2-7-14(13)18-16-19-15(10-21-16)12-5-3-4-11(8-12)9-20/h1-8,10,20H,9H2,(H,18,19).
What are the key properties of [3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methanol?
[3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methanol has a molecular weight of 300.36 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methanol is sourced from PubChem (CID 146949885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).