3-(2-fluoroethyl)-5-methoxy-2-methyl-2H-1,3-benzothiazole

C11H14FNOS — CID 87944875

IUPAC3-(2-fluoroethyl)-5-methoxy-2-methyl-2H-1,3-benzothiazole
SMILESCOc1ccc2c(c1)N(CCF)C(C)S2
InChIInChI=1S/C11H14FNOS/c1-8-13(6-5-12)10-7-9(14-2)3-4-11(10)15-8/h3-4,7-8H,5-6H2,1-2H3
InChIKeyLPIWWSPTSRSJML-UHFFFAOYSA-N
MW227.30 g/mol
LogP2.92
Rot. Bonds3

About 3-(2-fluoroethyl)-5-methoxy-2-methyl-2H-1,3-benzothiazole

3-(2-fluoroethyl)-5-methoxy-2-methyl-2H-1,3-benzothiazole (PubChem CID 87944875) has the molecular formula C11H14FNOS and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-5-methoxy-2-methyl-2H-1,3-benzothiazole.

Molecular Properties

Compound Name3-(2-fluoroethyl)-5-methoxy-2-methyl-2H-1,3-benzothiazole
PubChem CID87944875
Molecular FormulaC11H14FNOS
Molecular Weight227.30 g/mol
Exact Mass227.08
IUPAC Name3-(2-fluoroethyl)-5-methoxy-2-methyl-2H-1,3-benzothiazole
SMILESCOc1ccc2c(c1)N(CCF)C(C)S2
InChIInChI=1S/C11H14FNOS/c1-8-13(6-5-12)10-7-9(14-2)3-4-11(10)15-8/h3-4,7-8H,5-6H2,1-2H3
InChIKeyLPIWWSPTSRSJML-UHFFFAOYSA-N
XLogP2.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxybenzothiazole-2(3H)-thione
CID 2830679
TG-003
CID 1893668
3-Allyl-5-(3-ethyl-5-methoxy-3H-benzothiazol-2-ylidene)-2-thioxo-thiazolidin-4-one
CID 3115306
1-(3-ethyl-5-methoxy-1,3-benzothiazol-2(3H)-ylidene)-2-butanone
CID 759440
(1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one
CID 1893667
ProINDY
CID 44633738
1-[3-(2-hydroxyethyl)-5-methoxy-1,3-benzothiazol-2(3H)-ylidene]-2-butanone
CID 744620
1-[(2E)-3-Ethyl-5-methoxy-2,3-dihydro-1,3-benzothiazol-2-ylidene]butan-2-one
CID 759439
2-Benzothiazolinone, 5-methoxy-
CID 27132
(1E)-1-[3-(2-hydroxyethyl)-5-methoxy-1,3-benzothiazol-2(3H)-ylidene]butan-2-one
CID 744618
3-Butyl-5-(3-ethyl-5-methoxy-3H-benzothiazol-2-ylidene)-2-thioxo-thiazolidin-4-one
CID 3100672
1-(3-Ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one
CID 647991

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)-5-methoxy-2-methyl-2H-1,3-benzothiazole?
The IUPAC name of 3-(2-fluoroethyl)-5-methoxy-2-methyl-2H-1,3-benzothiazole (CID 87944875) is 3-(2-fluoroethyl)-5-methoxy-2-methyl-2H-1,3-benzothiazole.
What is the SMILES notation for 3-(2-fluoroethyl)-5-methoxy-2-methyl-2H-1,3-benzothiazole?
The canonical SMILES for 3-(2-fluoroethyl)-5-methoxy-2-methyl-2H-1,3-benzothiazole is COc1ccc2c(c1)N(CCF)C(C)S2.
What is the InChIKey of 3-(2-fluoroethyl)-5-methoxy-2-methyl-2H-1,3-benzothiazole?
The InChIKey is LPIWWSPTSRSJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNOS/c1-8-13(6-5-12)10-7-9(14-2)3-4-11(10)15-8/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 3-(2-fluoroethyl)-5-methoxy-2-methyl-2H-1,3-benzothiazole?
3-(2-fluoroethyl)-5-methoxy-2-methyl-2H-1,3-benzothiazole has a molecular weight of 227.30 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-5-methoxy-2-methyl-2H-1,3-benzothiazole is sourced from PubChem (CID 87944875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).