5-(2-fluoroethoxy)-6-methoxy-2,3-dihydro-1,3-benzothiazol-2-amine

C10H13FN2O2S — CID 145181360

IUPAC5-(2-fluoroethoxy)-6-methoxy-2,3-dihydro-1,3-benzothiazol-2-amine
SMILESCOc1cc2c(cc1OCCF)NC(N)S2
InChIInChI=1S/C10H13FN2O2S/c1-14-7-5-9-6(13-10(12)16-9)4-8(7)15-3-2-11/h4-5,10,13H,2-3,12H2,1H3
InChIKeyWIXYFWIYBRXHGU-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.80
Rot. Bonds4

About 5-(2-fluoroethoxy)-6-methoxy-2,3-dihydro-1,3-benzothiazol-2-amine

5-(2-fluoroethoxy)-6-methoxy-2,3-dihydro-1,3-benzothiazol-2-amine (PubChem CID 145181360) has the molecular formula C10H13FN2O2S and a molecular weight of 244.29 g/mol. Its IUPAC name is 5-(2-fluoroethoxy)-6-methoxy-2,3-dihydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-(2-fluoroethoxy)-6-methoxy-2,3-dihydro-1,3-benzothiazol-2-amine
PubChem CID145181360
Molecular FormulaC10H13FN2O2S
Molecular Weight244.29 g/mol
Exact Mass244.07
IUPAC Name5-(2-fluoroethoxy)-6-methoxy-2,3-dihydro-1,3-benzothiazol-2-amine
SMILESCOc1cc2c(cc1OCCF)NC(N)S2
InChIInChI=1S/C10H13FN2O2S/c1-14-7-5-9-6(13-10(12)16-9)4-8(7)15-3-2-11/h4-5,10,13H,2-3,12H2,1H3
InChIKeyWIXYFWIYBRXHGU-UHFFFAOYSA-N
XLogP1.80
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Methoxyethyl)-3-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)urea
CID 56823067
1-(6-Methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(oxolan-3-ylmethyl)urea
CID 72025068
1-(6-Methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-propylurea
CID 53622738
1-(2-Methoxyethyl)-1-methyl-3-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)urea
CID 56823082
1,1-Diethyl-3-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)urea
CID 60214752
5,6-Dimethoxybenzo [d]thiazole-2(3h)-thione
CID 7059203
5,6-dimethoxybenzo[d]thiazol-2(3H)-one
CID 20522285
3-[[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-5,6-dimethoxy-2H-1,3-benzothiazol-2-amine
CID 57047890
2-fluoro-3,4-dimethoxy-N-methyl-6-methylsulfanylaniline
CID 139575699
2-(4-Fluorophenyl)-5,6-dimethoxy-2,3-dihydro-1,3-benzothiazole
CID 143479590
5-Ethoxy-2-(trifluoromethylsulfanyl)-2,3-dihydro-1,3-benzothiazole
CID 153632178
5,6-Dimethoxy-3-methyl-1,3-benzothiazol-2-one
CID 17980953

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoroethoxy)-6-methoxy-2,3-dihydro-1,3-benzothiazol-2-amine?
The IUPAC name of 5-(2-fluoroethoxy)-6-methoxy-2,3-dihydro-1,3-benzothiazol-2-amine (CID 145181360) is 5-(2-fluoroethoxy)-6-methoxy-2,3-dihydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-(2-fluoroethoxy)-6-methoxy-2,3-dihydro-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-(2-fluoroethoxy)-6-methoxy-2,3-dihydro-1,3-benzothiazol-2-amine is COc1cc2c(cc1OCCF)NC(N)S2.
What is the InChIKey of 5-(2-fluoroethoxy)-6-methoxy-2,3-dihydro-1,3-benzothiazol-2-amine?
The InChIKey is WIXYFWIYBRXHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S/c1-14-7-5-9-6(13-10(12)16-9)4-8(7)15-3-2-11/h4-5,10,13H,2-3,12H2,1H3.
What are the key properties of 5-(2-fluoroethoxy)-6-methoxy-2,3-dihydro-1,3-benzothiazol-2-amine?
5-(2-fluoroethoxy)-6-methoxy-2,3-dihydro-1,3-benzothiazol-2-amine has a molecular weight of 244.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroethoxy)-6-methoxy-2,3-dihydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 145181360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).