N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

C11H14F3N3OS — CID 78958481

IUPACN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C11H14F3N3OS/c12-11(13,14)6-15-5-9(18)17-10-16-7-3-1-2-4-8(7)19-10/h15H,1-6H2,(H,16,17,18)
InChIKeyDOIQUGCMRXOAMA-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.11
Rot. Bonds4

About N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78958481) has the molecular formula C11H14F3N3OS and a molecular weight of 293.31 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78958481
Molecular FormulaC11H14F3N3OS
Molecular Weight293.31 g/mol
Exact Mass293.08
IUPAC NameN-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)Nc1nc2c(s1)CCCC2
InChIInChI=1S/C11H14F3N3OS/c12-11(13,14)6-15-5-9(18)17-10-16-7-3-1-2-4-8(7)19-10/h15H,1-6H2,(H,16,17,18)
InChIKeyDOIQUGCMRXOAMA-UHFFFAOYSA-N
XLogP2.11
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78958481) is N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)Nc1nc2c(s1)CCCC2.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is DOIQUGCMRXOAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3OS/c12-11(13,14)6-15-5-9(18)17-10-16-7-3-1-2-4-8(7)19-10/h15H,1-6H2,(H,16,17,18).
What are the key properties of N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 293.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78958481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).