6-[4-(2,2,2-trifluoroethylamino)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

C14H21F3N4S — CID 177359938

IUPAC6-[4-(2,2,2-trifluoroethylamino)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESNc1nc2c(s1)CC(N1CCC(NCC(F)(F)F)CC1)CC2
InChIInChI=1S/C14H21F3N4S/c15-14(16,17)8-19-9-3-5-21(6-4-9)10-1-2-11-12(7-10)22-13(18)20-11/h9-10,19H,1-8H2,(H2,18,20)
InChIKeyDUWURQAPLVCMEA-UHFFFAOYSA-N
MW334.41 g/mol
LogP2.20
Rot. Bonds3

About 6-[4-(2,2,2-trifluoroethylamino)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

6-[4-(2,2,2-trifluoroethylamino)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 177359938) has the molecular formula C14H21F3N4S and a molecular weight of 334.41 g/mol. Its IUPAC name is 6-[4-(2,2,2-trifluoroethylamino)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[4-(2,2,2-trifluoroethylamino)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID177359938
Molecular FormulaC14H21F3N4S
Molecular Weight334.41 g/mol
Exact Mass334.14
IUPAC Name6-[4-(2,2,2-trifluoroethylamino)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESNc1nc2c(s1)CC(N1CCC(NCC(F)(F)F)CC1)CC2
InChIInChI=1S/C14H21F3N4S/c15-14(16,17)8-19-9-3-5-21(6-4-9)10-1-2-11-12(7-10)22-13(18)20-11/h9-10,19H,1-8H2,(H2,18,20)
InChIKeyDUWURQAPLVCMEA-UHFFFAOYSA-N
XLogP2.20
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,2,2-trifluoroethylamino)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[4-(2,2,2-trifluoroethylamino)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 177359938) is 6-[4-(2,2,2-trifluoroethylamino)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[4-(2,2,2-trifluoroethylamino)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[4-(2,2,2-trifluoroethylamino)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is Nc1nc2c(s1)CC(N1CCC(NCC(F)(F)F)CC1)CC2.
What is the InChIKey of 6-[4-(2,2,2-trifluoroethylamino)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is DUWURQAPLVCMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4S/c15-14(16,17)8-19-9-3-5-21(6-4-9)10-1-2-11-12(7-10)22-13(18)20-11/h9-10,19H,1-8H2,(H2,18,20).
What are the key properties of 6-[4-(2,2,2-trifluoroethylamino)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
6-[4-(2,2,2-trifluoroethylamino)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 334.41 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,2,2-trifluoroethylamino)piperidin-1-yl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 177359938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).