4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-yl)butanamide

C11H11F3N4O2S — CID 51334849

IUPAC4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-yl)butanamide
SMILESCn1ccnc1C(O)(CC(=O)Nc1nccs1)C(F)(F)F
InChIInChI=1S/C11H11F3N4O2S/c1-18-4-2-15-8(18)10(20,11(12,13)14)6-7(19)17-9-16-3-5-21-9/h2-5,20H,6H2,1H3,(H,16,17,19)
InChIKeyZVULXZBDNMINHP-UHFFFAOYSA-N
MW320.30 g/mol
LogP1.66
Rot. Bonds4

About 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-yl)butanamide

4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 51334849) has the molecular formula C11H11F3N4O2S and a molecular weight of 320.30 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-yl)butanamide
PubChem CID51334849
Molecular FormulaC11H11F3N4O2S
Molecular Weight320.30 g/mol
Exact Mass320.06
IUPAC Name4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-yl)butanamide
SMILESCn1ccnc1C(O)(CC(=O)Nc1nccs1)C(F)(F)F
InChIInChI=1S/C11H11F3N4O2S/c1-18-4-2-15-8(18)10(20,11(12,13)14)6-7(19)17-9-16-3-5-21-9/h2-5,20H,6H2,1H3,(H,16,17,19)
InChIKeyZVULXZBDNMINHP-UHFFFAOYSA-N
XLogP1.66
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-yl)butanamide (CID 51334849) is 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-yl)butanamide is Cn1ccnc1C(O)(CC(=O)Nc1nccs1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is ZVULXZBDNMINHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O2S/c1-18-4-2-15-8(18)10(20,11(12,13)14)6-7(19)17-9-16-3-5-21-9/h2-5,20H,6H2,1H3,(H,16,17,19).
What are the key properties of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-yl)butanamide?
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 320.30 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 51334849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).