N-(2,3-dimethoxypropyl)-5-fluoro-1,3-benzothiazol-2-amine

C12H15FN2O2S — CID 114101101

IUPACN-(2,3-dimethoxypropyl)-5-fluoro-1,3-benzothiazol-2-amine
SMILESCOCC(CNc1nc2cc(F)ccc2s1)OC
InChIInChI=1S/C12H15FN2O2S/c1-16-7-9(17-2)6-14-12-15-10-5-8(13)3-4-11(10)18-12/h3-5,9H,6-7H2,1-2H3,(H,14,15)
InChIKeyMJDABICQEIDCEK-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.51
Rot. Bonds6

About N-(2,3-dimethoxypropyl)-5-fluoro-1,3-benzothiazol-2-amine

N-(2,3-dimethoxypropyl)-5-fluoro-1,3-benzothiazol-2-amine (PubChem CID 114101101) has the molecular formula C12H15FN2O2S and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(2,3-dimethoxypropyl)-5-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dimethoxypropyl)-5-fluoro-1,3-benzothiazol-2-amine
PubChem CID114101101
Molecular FormulaC12H15FN2O2S
Molecular Weight270.33 g/mol
Exact Mass270.08
IUPAC NameN-(2,3-dimethoxypropyl)-5-fluoro-1,3-benzothiazol-2-amine
SMILESCOCC(CNc1nc2cc(F)ccc2s1)OC
InChIInChI=1S/C12H15FN2O2S/c1-16-7-9(17-2)6-14-12-15-10-5-8(13)3-4-11(10)18-12/h3-5,9H,6-7H2,1-2H3,(H,14,15)
InChIKeyMJDABICQEIDCEK-UHFFFAOYSA-N
XLogP2.51
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dimethoxypropyl)-5-fluoro-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-N-(1-methoxy-3-methylbutan-2-yl)-1,3-benzothiazol-2-amine
CID 65048266
5-fluoro-N-(2-methyl-3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 63958238
5-fluoro-N-[2-(2-methoxyphenyl)ethyl]-1,3-benzothiazol-2-amine
CID 106262047
5-fluoro-N-[(1-methoxycyclobutyl)methyl]-1,3-benzothiazol-2-amine
CID 114119928
5-fluoro-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine
CID 106294883
5-fluoro-N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 62057975
ethyl 2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]acetate
CID 60810692
N-[(4-chlorophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 43306392
N-(2,3-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79144067
N-[(4-bromophenyl)methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 54937620
2-[(5-fluoro-1,3-benzothiazol-2-yl)amino]-N,N-dimethylacetamide
CID 43311082
6-fluoro-N-(2-methylbutyl)-1,3-benzothiazol-2-amine
CID 79143974

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethoxypropyl)-5-fluoro-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2,3-dimethoxypropyl)-5-fluoro-1,3-benzothiazol-2-amine (CID 114101101) is N-(2,3-dimethoxypropyl)-5-fluoro-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2,3-dimethoxypropyl)-5-fluoro-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2,3-dimethoxypropyl)-5-fluoro-1,3-benzothiazol-2-amine is COCC(CNc1nc2cc(F)ccc2s1)OC.
What is the InChIKey of N-(2,3-dimethoxypropyl)-5-fluoro-1,3-benzothiazol-2-amine?
The InChIKey is MJDABICQEIDCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2S/c1-16-7-9(17-2)6-14-12-15-10-5-8(13)3-4-11(10)18-12/h3-5,9H,6-7H2,1-2H3,(H,14,15).
What are the key properties of N-(2,3-dimethoxypropyl)-5-fluoro-1,3-benzothiazol-2-amine?
N-(2,3-dimethoxypropyl)-5-fluoro-1,3-benzothiazol-2-amine has a molecular weight of 270.33 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethoxypropyl)-5-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 114101101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).