6-fluoro-2-pentoxy-1,3-benzothiazol-5-amine

C12H15FN2OS — CID 14853790

IUPAC6-fluoro-2-pentoxy-1,3-benzothiazol-5-amine
SMILESCCCCCOc1nc2cc(N)c(F)cc2s1
InChIInChI=1S/C12H15FN2OS/c1-2-3-4-5-16-12-15-10-7-9(14)8(13)6-11(10)17-12/h6-7H,2-5,14H2,1H3
InChIKeyDRYWHMPXWOSGSN-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.59
Rot. Bonds5

About 6-fluoro-2-pentoxy-1,3-benzothiazol-5-amine

6-fluoro-2-pentoxy-1,3-benzothiazol-5-amine (PubChem CID 14853790) has the molecular formula C12H15FN2OS and a molecular weight of 254.33 g/mol. Its IUPAC name is 6-fluoro-2-pentoxy-1,3-benzothiazol-5-amine.

Molecular Properties

Compound Name6-fluoro-2-pentoxy-1,3-benzothiazol-5-amine
PubChem CID14853790
Molecular FormulaC12H15FN2OS
Molecular Weight254.33 g/mol
Exact Mass254.09
IUPAC Name6-fluoro-2-pentoxy-1,3-benzothiazol-5-amine
SMILESCCCCCOc1nc2cc(N)c(F)cc2s1
InChIInChI=1S/C12H15FN2OS/c1-2-3-4-5-16-12-15-10-7-9(14)8(13)6-11(10)17-12/h6-7H,2-5,14H2,1H3
InChIKeyDRYWHMPXWOSGSN-UHFFFAOYSA-N
XLogP3.59
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-fluoro-2-pentoxy-1,3-benzothiazol-5-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-heptoxy-2-methyl-1,3-benzothiazol-6-amine
CID 43450718
2,6-bis(3,4,5-tridodecoxyphenyl)-[1,3]thiazolo[5,4-f][1,3]benzothiazole
CID 102287584
2-ethylsulfanyl-1,3-benzothiazole;2-hexoxy-1,3-benzothiazole
CID 159562936
2,3,5-trifluoro-4-hexoxyaniline
CID 118474907
3-(6-hexoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39107285
nonyl 4-amino-2,5-difluorobenzoate
CID 104700308
6-dodecoxy-2-(4-dodecoxyphenyl)-1,3-benzothiazole
CID 102049010
5-bromo-4-fluoro-2-nonoxyaniline
CID 103482858
4-butoxy-5-fluorobenzene-1,2-diamine
CID 170437526
4-pentoxyquinolin-2-amine
CID 118174578
4,5-dioctoxybenzene-1,2-diamine;dihydrochloride
CID 71614381
3-fluoro-2-hexoxyaniline
CID 104831272

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-pentoxy-1,3-benzothiazol-5-amine?
The IUPAC name of 6-fluoro-2-pentoxy-1,3-benzothiazol-5-amine (CID 14853790) is 6-fluoro-2-pentoxy-1,3-benzothiazol-5-amine.
What is the SMILES notation for 6-fluoro-2-pentoxy-1,3-benzothiazol-5-amine?
The canonical SMILES for 6-fluoro-2-pentoxy-1,3-benzothiazol-5-amine is CCCCCOc1nc2cc(N)c(F)cc2s1.
What is the InChIKey of 6-fluoro-2-pentoxy-1,3-benzothiazol-5-amine?
The InChIKey is DRYWHMPXWOSGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2OS/c1-2-3-4-5-16-12-15-10-7-9(14)8(13)6-11(10)17-12/h6-7H,2-5,14H2,1H3.
What are the key properties of 6-fluoro-2-pentoxy-1,3-benzothiazol-5-amine?
6-fluoro-2-pentoxy-1,3-benzothiazol-5-amine has a molecular weight of 254.33 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-pentoxy-1,3-benzothiazol-5-amine is sourced from PubChem (CID 14853790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).