6-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

C12H17F2N3S — CID 87425935

IUPAC6-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESNc1nc2c(s1)CC(N1CCC(F)(F)CC1)CC2
InChIInChI=1S/C12H17F2N3S/c13-12(14)3-5-17(6-4-12)8-1-2-9-10(7-8)18-11(15)16-9/h8H,1-7H2,(H2,15,16)
InChIKeyKESIRVGQOIPTLO-UHFFFAOYSA-N
MW273.35 g/mol
LogP2.31
Rot. Bonds1

About 6-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

6-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 87425935) has the molecular formula C12H17F2N3S and a molecular weight of 273.35 g/mol. Its IUPAC name is 6-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID87425935
Molecular FormulaC12H17F2N3S
Molecular Weight273.35 g/mol
Exact Mass273.11
IUPAC Name6-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESNc1nc2c(s1)CC(N1CCC(F)(F)CC1)CC2
InChIInChI=1S/C12H17F2N3S/c13-12(14)3-5-17(6-4-12)8-1-2-9-10(7-8)18-11(15)16-9/h8H,1-7H2,(H2,15,16)
InChIKeyKESIRVGQOIPTLO-UHFFFAOYSA-N
XLogP2.31
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 87425935) is 6-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is Nc1nc2c(s1)CC(N1CCC(F)(F)CC1)CC2.
What is the InChIKey of 6-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is KESIRVGQOIPTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3S/c13-12(14)3-5-17(6-4-12)8-1-2-9-10(7-8)18-11(15)16-9/h8H,1-7H2,(H2,15,16).
What are the key properties of 6-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
6-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 273.35 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-difluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 87425935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).