2-(4-fluorophenyl)-5,6-dimethoxy-2,3-dihydro-1,3-benzothiazole

C15H14FNO2S — CID 143479590

IUPAC2-(4-fluorophenyl)-5,6-dimethoxy-2,3-dihydro-1,3-benzothiazole
SMILESCOc1cc2c(cc1OC)SC(c1ccc(F)cc1)N2
InChIInChI=1S/C15H14FNO2S/c1-18-12-7-11-14(8-13(12)19-2)20-15(17-11)9-3-5-10(16)6-4-9/h3-8,15,17H,1-2H3
InChIKeyBJLUXCFWKUAFON-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.06
Rot. Bonds3

About 2-(4-fluorophenyl)-5,6-dimethoxy-2,3-dihydro-1,3-benzothiazole

2-(4-fluorophenyl)-5,6-dimethoxy-2,3-dihydro-1,3-benzothiazole (PubChem CID 143479590) has the molecular formula C15H14FNO2S and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5,6-dimethoxy-2,3-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5,6-dimethoxy-2,3-dihydro-1,3-benzothiazole
PubChem CID143479590
Molecular FormulaC15H14FNO2S
Molecular Weight291.35 g/mol
Exact Mass291.07
IUPAC Name2-(4-fluorophenyl)-5,6-dimethoxy-2,3-dihydro-1,3-benzothiazole
SMILESCOc1cc2c(cc1OC)SC(c1ccc(F)cc1)N2
InChIInChI=1S/C15H14FNO2S/c1-18-12-7-11-14(8-13(12)19-2)20-15(17-11)9-3-5-10(16)6-4-9/h3-8,15,17H,1-2H3
InChIKeyBJLUXCFWKUAFON-UHFFFAOYSA-N
XLogP4.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethoxy-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 783764
2-(2,3-Dimethoxyphenyl)-2,3-dihydro-1,3-benzothiazole
CID 2803247
2-(4-Methoxyphenyl)-2,3-dihydrobenzo[d]thiazole
CID 3424364
3-[[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2H-1,3-benzothiazol-2-amine
CID 57047890
2,3,5,6-tetrafluoro-4-(6-methoxy-2,3-dihydro-1,3-benzothiazol-2-yl)-N-methylaniline
CID 143479612
5-(2-Fluoroethoxy)-6-methoxy-2,3-dihydro-1,3-benzothiazol-2-amine
CID 145181360
4-Benzylthio-5-amino veratrole
CID 603670
2,2-difluoro-N-[(4-methylsulfanylphenyl)methyl]-1,3-benzodioxol-5-amine
CID 29044109
3-(difluoromethoxy)-4-methoxy-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 43731335
3-(difluoromethoxy)-4-methoxy-N-(thiophen-3-ylmethyl)aniline
CID 43731336
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,3-benzodioxol-5-amine
CID 43766254
3-(difluoromethoxy)-N-[(2,5-dimethylthiophen-3-yl)methyl]-4-methoxyaniline
CID 61553473

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5,6-dimethoxy-2,3-dihydro-1,3-benzothiazole?
The IUPAC name of 2-(4-fluorophenyl)-5,6-dimethoxy-2,3-dihydro-1,3-benzothiazole (CID 143479590) is 2-(4-fluorophenyl)-5,6-dimethoxy-2,3-dihydro-1,3-benzothiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5,6-dimethoxy-2,3-dihydro-1,3-benzothiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5,6-dimethoxy-2,3-dihydro-1,3-benzothiazole is COc1cc2c(cc1OC)SC(c1ccc(F)cc1)N2.
What is the InChIKey of 2-(4-fluorophenyl)-5,6-dimethoxy-2,3-dihydro-1,3-benzothiazole?
The InChIKey is BJLUXCFWKUAFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2S/c1-18-12-7-11-14(8-13(12)19-2)20-15(17-11)9-3-5-10(16)6-4-9/h3-8,15,17H,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-5,6-dimethoxy-2,3-dihydro-1,3-benzothiazole?
2-(4-fluorophenyl)-5,6-dimethoxy-2,3-dihydro-1,3-benzothiazole has a molecular weight of 291.35 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5,6-dimethoxy-2,3-dihydro-1,3-benzothiazole is sourced from PubChem (CID 143479590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).