2-fluoro-4-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]phenol

C15H13FN2OS2 — CID 107685421

IUPAC2-fluoro-4-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]phenol
SMILESCSc1nc2ccc(NCc3ccc(O)c(F)c3)cc2s1
InChIInChI=1S/C15H13FN2OS2/c1-20-15-18-12-4-3-10(7-14(12)21-15)17-8-9-2-5-13(19)11(16)6-9/h2-7,17,19H,8H2,1H3
InChIKeyVIYSFTCSHIDXAT-UHFFFAOYSA-N
MW320.41 g/mol
LogP4.47
Rot. Bonds4

About 2-fluoro-4-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]phenol

2-fluoro-4-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]phenol (PubChem CID 107685421) has the molecular formula C15H13FN2OS2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-fluoro-4-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]phenol
PubChem CID107685421
Molecular FormulaC15H13FN2OS2
Molecular Weight320.41 g/mol
Exact Mass320.05
IUPAC Name2-fluoro-4-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]phenol
SMILESCSc1nc2ccc(NCc3ccc(O)c(F)c3)cc2s1
InChIInChI=1S/C15H13FN2OS2/c1-20-15-18-12-4-3-10(7-14(12)21-15)17-8-9-2-5-13(19)11(16)6-9/h2-7,17,19H,8H2,1H3
InChIKeyVIYSFTCSHIDXAT-UHFFFAOYSA-N
XLogP4.47
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-4-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]phenol with MolForge

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Related Compounds

4-chloro-2-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]phenol
CID 43682810
N-[(3,5-dichlorophenyl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 60788689
N-[(2,6-difluorophenyl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 43682750
4-[(1,3-benzothiazol-6-ylamino)methyl]-2-fluorophenol
CID 107803700
N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 43230170
N-[(3,4-difluorophenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 43231098
2-methylsulfanyl-N-pentyl-1,3-benzothiazol-6-amine
CID 43228519
N-[(5-bromothiophen-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 43682780
2-methylsulfanyl-N-(4-methylsulfanylbutyl)-1,3-benzothiazol-6-amine
CID 103087444
N-[(5-ethylfuran-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 63426862
N-[(4-bromo-3-fluorophenyl)methyl]-2-methyl-1,3-benzothiazol-6-amine
CID 81437224
N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfanyl-1,3-benzothiazol-6-amine
CID 55024478

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]phenol?
The IUPAC name of 2-fluoro-4-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]phenol (CID 107685421) is 2-fluoro-4-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]phenol?
The canonical SMILES for 2-fluoro-4-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]phenol is CSc1nc2ccc(NCc3ccc(O)c(F)c3)cc2s1.
What is the InChIKey of 2-fluoro-4-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]phenol?
The InChIKey is VIYSFTCSHIDXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS2/c1-20-15-18-12-4-3-10(7-14(12)21-15)17-8-9-2-5-13(19)11(16)6-9/h2-7,17,19H,8H2,1H3.
What are the key properties of 2-fluoro-4-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]phenol?
2-fluoro-4-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]phenol has a molecular weight of 320.41 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]methyl]phenol is sourced from PubChem (CID 107685421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).