N-cyclopropyl-4,4,4-trifluoro-N-(1,3-thiazol-2-ylmethyl)butanamide

C11H13F3N2OS — CID 91790899

IUPACN-cyclopropyl-4,4,4-trifluoro-N-(1,3-thiazol-2-ylmethyl)butanamide
SMILESO=C(CCC(F)(F)F)N(Cc1nccs1)C1CC1
InChIInChI=1S/C11H13F3N2OS/c12-11(13,14)4-3-10(17)16(8-1-2-8)7-9-15-5-6-18-9/h5-6,8H,1-4,7H2
InChIKeyJCVBURTWISBTDT-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.98
Rot. Bonds5

About N-cyclopropyl-4,4,4-trifluoro-N-(1,3-thiazol-2-ylmethyl)butanamide

N-cyclopropyl-4,4,4-trifluoro-N-(1,3-thiazol-2-ylmethyl)butanamide (PubChem CID 91790899) has the molecular formula C11H13F3N2OS and a molecular weight of 278.30 g/mol. Its IUPAC name is N-cyclopropyl-4,4,4-trifluoro-N-(1,3-thiazol-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4,4,4-trifluoro-N-(1,3-thiazol-2-ylmethyl)butanamide
PubChem CID91790899
Molecular FormulaC11H13F3N2OS
Molecular Weight278.30 g/mol
Exact Mass278.07
IUPAC NameN-cyclopropyl-4,4,4-trifluoro-N-(1,3-thiazol-2-ylmethyl)butanamide
SMILESO=C(CCC(F)(F)F)N(Cc1nccs1)C1CC1
InChIInChI=1S/C11H13F3N2OS/c12-11(13,14)4-3-10(17)16(8-1-2-8)7-9-15-5-6-18-9/h5-6,8H,1-4,7H2
InChIKeyJCVBURTWISBTDT-UHFFFAOYSA-N
XLogP2.98
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4,4,4-trifluoro-N-(1,3-thiazol-2-ylmethyl)butanamide?
The IUPAC name of N-cyclopropyl-4,4,4-trifluoro-N-(1,3-thiazol-2-ylmethyl)butanamide (CID 91790899) is N-cyclopropyl-4,4,4-trifluoro-N-(1,3-thiazol-2-ylmethyl)butanamide.
What is the SMILES notation for N-cyclopropyl-4,4,4-trifluoro-N-(1,3-thiazol-2-ylmethyl)butanamide?
The canonical SMILES for N-cyclopropyl-4,4,4-trifluoro-N-(1,3-thiazol-2-ylmethyl)butanamide is O=C(CCC(F)(F)F)N(Cc1nccs1)C1CC1.
What is the InChIKey of N-cyclopropyl-4,4,4-trifluoro-N-(1,3-thiazol-2-ylmethyl)butanamide?
The InChIKey is JCVBURTWISBTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2OS/c12-11(13,14)4-3-10(17)16(8-1-2-8)7-9-15-5-6-18-9/h5-6,8H,1-4,7H2.
What are the key properties of N-cyclopropyl-4,4,4-trifluoro-N-(1,3-thiazol-2-ylmethyl)butanamide?
N-cyclopropyl-4,4,4-trifluoro-N-(1,3-thiazol-2-ylmethyl)butanamide has a molecular weight of 278.30 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4,4,4-trifluoro-N-(1,3-thiazol-2-ylmethyl)butanamide is sourced from PubChem (CID 91790899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).