5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine

C13H15FN2OS — CID 114241173

IUPAC5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine
SMILESCC1COCCC1Nc1nc2cc(F)ccc2s1
InChIInChI=1S/C13H15FN2OS/c1-8-7-17-5-4-10(8)15-13-16-11-6-9(14)2-3-12(11)18-13/h2-3,6,8,10H,4-5,7H2,1H3,(H,15,16)
InChIKeyBYDKVBKCSSOOMM-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.27
Rot. Bonds2

About 5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine

5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine (PubChem CID 114241173) has the molecular formula C13H15FN2OS and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine
PubChem CID114241173
Molecular FormulaC13H15FN2OS
Molecular Weight266.34 g/mol
Exact Mass266.09
IUPAC Name5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine
SMILESCC1COCCC1Nc1nc2cc(F)ccc2s1
InChIInChI=1S/C13H15FN2OS/c1-8-7-17-5-4-10(8)15-13-16-11-6-9(14)2-3-12(11)18-13/h2-3,6,8,10H,4-5,7H2,1H3,(H,15,16)
InChIKeyBYDKVBKCSSOOMM-UHFFFAOYSA-N
XLogP3.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

5-fluoro-N-(2-methyloxolan-3-yl)-1,3-benzothiazol-2-amine
CID 82729076
N-(1,4-dioxan-2-ylmethyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 54908438
5-methyl-N-(2-methyloxolan-3-yl)-1,3-benzothiazol-2-amine
CID 82728861
5-fluoro-N-(thiolan-3-yl)-1,3-benzothiazol-2-amine
CID 103063774
5-fluoro-N-(3-methylsulfanylcyclopentyl)-1,3-benzothiazol-2-amine
CID 114124199
N-(2,3-dimethylcyclopentyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 64922635
N-[(3R,4S)-3-methoxyoxan-4-yl]-1,3-benzothiazol-2-amine
CID 131926651
6-N,2-dimethyl-4-N-(3-methyloxan-4-yl)pyrimidine-4,6-diamine
CID 114241669
5-[(3-methyloxan-4-yl)amino]-3H-1,3,4-thiadiazole-2-thione
CID 130491754
5-bromo-N-(oxan-4-yl)-1,3-benzothiazol-2-amine
CID 43610482
5-fluoro-N-[(5-methylthiophen-2-yl)methyl]-1,3-benzothiazol-2-amine
CID 62057975
6-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine
CID 80713313

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine (CID 114241173) is 5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine is CC1COCCC1Nc1nc2cc(F)ccc2s1.
What is the InChIKey of 5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine?
The InChIKey is BYDKVBKCSSOOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2OS/c1-8-7-17-5-4-10(8)15-13-16-11-6-9(14)2-3-12(11)18-13/h2-3,6,8,10H,4-5,7H2,1H3,(H,15,16).
What are the key properties of 5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine?
5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine has a molecular weight of 266.34 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(3-methyloxan-4-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 114241173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).