1-[(3-fluorophenyl)-(1,3-thiazol-2-ylamino)methyl]naphthalen-2-ol

C20H15FN2OS — CID 155898991

IUPAC1-[(3-fluorophenyl)-(1,3-thiazol-2-ylamino)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C(Nc1nccs1)c1cccc(F)c1
InChIInChI=1S/C20H15FN2OS/c21-15-6-3-5-14(12-15)19(23-20-22-10-11-25-20)18-16-7-2-1-4-13(16)8-9-17(18)24/h1-12,19,24H,(H,22,23)
InChIKeySBQJIKMXEIPDGD-UHFFFAOYSA-N
MW350.42 g/mol
LogP5.34
Rot. Bonds4

About 1-[(3-fluorophenyl)-(1,3-thiazol-2-ylamino)methyl]naphthalen-2-ol

1-[(3-fluorophenyl)-(1,3-thiazol-2-ylamino)methyl]naphthalen-2-ol (PubChem CID 155898991) has the molecular formula C20H15FN2OS and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)-(1,3-thiazol-2-ylamino)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(3-fluorophenyl)-(1,3-thiazol-2-ylamino)methyl]naphthalen-2-ol
PubChem CID155898991
Molecular FormulaC20H15FN2OS
Molecular Weight350.42 g/mol
Exact Mass350.09
IUPAC Name1-[(3-fluorophenyl)-(1,3-thiazol-2-ylamino)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C(Nc1nccs1)c1cccc(F)c1
InChIInChI=1S/C20H15FN2OS/c21-15-6-3-5-14(12-15)19(23-20-22-10-11-25-20)18-16-7-2-1-4-13(16)8-9-17(18)24/h1-12,19,24H,(H,22,23)
InChIKeySBQJIKMXEIPDGD-UHFFFAOYSA-N
XLogP5.34
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.42
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-fluoro-N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]benzamide
CID 55451553
1-[(1,3-benzothiazol-2-ylamino)-(4-methylsulfanylphenyl)methyl]naphthalen-2-ol
CID 177256699
1-[(4-bromophenyl)-(pyrimidin-2-ylamino)methyl]naphthalen-2-ol
CID 25128840
N-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332798
1-[(1-phenylethylamino)-pyridin-2-ylmethyl]naphthalen-2-ol
CID 86220851
N'-[naphthalen-1-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 86936286
N-(1-naphthalen-2-ylethyl)-1,3-thiazol-2-amine
CID 78910611
methyl N-[(3-bromophenyl)-(2-hydroxynaphthalen-1-yl)methyl]carbamate
CID 102512897
1-[[(6-chloro-1,3-benzothiazol-2-yl)amino]-(4-methoxyphenyl)methyl]naphthalen-2-ol
CID 71741177
1-[(4-bromophenyl)-(pyrazin-2-ylamino)methyl]naphthalen-2-ol
CID 25133983
7-[(R)-pyridin-3-yl-(1,3-thiazol-2-ylamino)methyl]quinolin-8-ol
CID 1285693
3-[[(4-fluorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]amino]-1H-pyridin-4-one
CID 176729772

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)-(1,3-thiazol-2-ylamino)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(3-fluorophenyl)-(1,3-thiazol-2-ylamino)methyl]naphthalen-2-ol (CID 155898991) is 1-[(3-fluorophenyl)-(1,3-thiazol-2-ylamino)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(3-fluorophenyl)-(1,3-thiazol-2-ylamino)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(3-fluorophenyl)-(1,3-thiazol-2-ylamino)methyl]naphthalen-2-ol is Oc1ccc2ccccc2c1C(Nc1nccs1)c1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)-(1,3-thiazol-2-ylamino)methyl]naphthalen-2-ol?
The InChIKey is SBQJIKMXEIPDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2OS/c21-15-6-3-5-14(12-15)19(23-20-22-10-11-25-20)18-16-7-2-1-4-13(16)8-9-17(18)24/h1-12,19,24H,(H,22,23).
What are the key properties of 1-[(3-fluorophenyl)-(1,3-thiazol-2-ylamino)methyl]naphthalen-2-ol?
1-[(3-fluorophenyl)-(1,3-thiazol-2-ylamino)methyl]naphthalen-2-ol has a molecular weight of 350.42 g/mol, XLogP of 5.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)-(1,3-thiazol-2-ylamino)methyl]naphthalen-2-ol is sourced from PubChem (CID 155898991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).