6-fluoro-N-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine

C12H13FN2OS — CID 172900824

IUPAC6-fluoro-N-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine
SMILESCN(c1nc2ccc(F)cc2s1)C1CCOC1
InChIInChI=1S/C12H13FN2OS/c1-15(9-4-5-16-7-9)12-14-10-3-2-8(13)6-11(10)17-12/h2-3,6,9H,4-5,7H2,1H3
InChIKeyCNCPWQUZSUKXEP-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.66
Rot. Bonds2

About 6-fluoro-N-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine

6-fluoro-N-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine (PubChem CID 172900824) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine
PubChem CID172900824
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC Name6-fluoro-N-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine
SMILESCN(c1nc2ccc(F)cc2s1)C1CCOC1
InChIInChI=1S/C12H13FN2OS/c1-15(9-4-5-16-7-9)12-14-10-3-2-8(13)6-11(10)17-12/h2-3,6,9H,4-5,7H2,1H3
InChIKeyCNCPWQUZSUKXEP-UHFFFAOYSA-N
XLogP2.66
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-fluoro-N-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine (CID 172900824) is 6-fluoro-N-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-fluoro-N-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-fluoro-N-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine is CN(c1nc2ccc(F)cc2s1)C1CCOC1.
What is the InChIKey of 6-fluoro-N-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine?
The InChIKey is CNCPWQUZSUKXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c1-15(9-4-5-16-7-9)12-14-10-3-2-8(13)6-11(10)17-12/h2-3,6,9H,4-5,7H2,1H3.
What are the key properties of 6-fluoro-N-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine?
6-fluoro-N-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine has a molecular weight of 252.31 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 172900824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).