4,4,4-trifluoro-N-[(3R,4R)-4-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]butanamide

C17H24F3N3O2S — CID 154570307

IUPAC4,4,4-trifluoro-N-[(3R,4R)-4-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]butanamide
SMILESO=C(CCC(F)(F)F)N[C@@H]1CN(Cc2nc3c(s2)CCCC3)CC[C@H]1O
InChIInChI=1S/C17H24F3N3O2S/c18-17(19,20)7-5-15(25)21-12-9-23(8-6-13(12)24)10-16-22-11-3-1-2-4-14(11)26-16/h12-13,24H,1-10H2,(H,21,25)/t12-,13-/m1/s1
InChIKeyOTVLOQCGMZXJAX-CHWSQXEVSA-N
MW391.46 g/mol
LogP2.42
Rot. Bonds5

About 4,4,4-trifluoro-N-[(3R,4R)-4-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]butanamide

4,4,4-trifluoro-N-[(3R,4R)-4-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]butanamide (PubChem CID 154570307) has the molecular formula C17H24F3N3O2S and a molecular weight of 391.46 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(3R,4R)-4-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(3R,4R)-4-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]butanamide
PubChem CID154570307
Molecular FormulaC17H24F3N3O2S
Molecular Weight391.46 g/mol
Exact Mass391.15
IUPAC Name4,4,4-trifluoro-N-[(3R,4R)-4-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]butanamide
SMILESO=C(CCC(F)(F)F)N[C@@H]1CN(Cc2nc3c(s2)CCCC3)CC[C@H]1O
InChIInChI=1S/C17H24F3N3O2S/c18-17(19,20)7-5-15(25)21-12-9-23(8-6-13(12)24)10-16-22-11-3-1-2-4-14(11)26-16/h12-13,24H,1-10H2,(H,21,25)/t12-,13-/m1/s1
InChIKeyOTVLOQCGMZXJAX-CHWSQXEVSA-N
XLogP2.42
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.46
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4,4,4-trifluoro-N-[(3R,4R)-4-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(3R,4R)-4-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[(3R,4R)-4-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]butanamide (CID 154570307) is 4,4,4-trifluoro-N-[(3R,4R)-4-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(3R,4R)-4-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(3R,4R)-4-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]butanamide is O=C(CCC(F)(F)F)N[C@@H]1CN(Cc2nc3c(s2)CCCC3)CC[C@H]1O.
What is the InChIKey of 4,4,4-trifluoro-N-[(3R,4R)-4-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]butanamide?
The InChIKey is OTVLOQCGMZXJAX-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H24F3N3O2S/c18-17(19,20)7-5-15(25)21-12-9-23(8-6-13(12)24)10-16-22-11-3-1-2-4-14(11)26-16/h12-13,24H,1-10H2,(H,21,25)/t12-,13-/m1/s1.
What are the key properties of 4,4,4-trifluoro-N-[(3R,4R)-4-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]butanamide?
4,4,4-trifluoro-N-[(3R,4R)-4-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]butanamide has a molecular weight of 391.46 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(3R,4R)-4-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]butanamide is sourced from PubChem (CID 154570307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).