2,2,3,3,3-pentafluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide

C14H13F5N4O2S2 — CID 11293282

IUPAC2,2,3,3,3-pentafluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(C)c1cnc(NC(=O)Cc2csc(NC(=O)C(F)(F)C(F)(F)F)n2)s1
InChIInChI=1S/C14H13F5N4O2S2/c1-6(2)8-4-20-11(27-8)22-9(24)3-7-5-26-12(21-7)23-10(25)13(15,16)14(17,18)19/h4-6H,3H2,1-2H3,(H,20,22,24)(H,21,23,25)
InChIKeyFWDNBSRTVKBKBT-UHFFFAOYSA-N
MW428.41 g/mol
LogP4.04
Rot. Bonds6

About 2,2,3,3,3-pentafluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide

2,2,3,3,3-pentafluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 11293282) has the molecular formula C14H13F5N4O2S2 and a molecular weight of 428.41 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide
PubChem CID11293282
Molecular FormulaC14H13F5N4O2S2
Molecular Weight428.41 g/mol
Exact Mass428.04
IUPAC Name2,2,3,3,3-pentafluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide
SMILESCC(C)c1cnc(NC(=O)Cc2csc(NC(=O)C(F)(F)C(F)(F)F)n2)s1
InChIInChI=1S/C14H13F5N4O2S2/c1-6(2)8-4-20-11(27-8)22-9(24)3-7-5-26-12(21-7)23-10(25)13(15,16)14(17,18)19/h4-6H,3H2,1-2H3,(H,20,22,24)(H,21,23,25)
InChIKeyFWDNBSRTVKBKBT-UHFFFAOYSA-N
XLogP4.04
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide (CID 11293282) is 2,2,3,3,3-pentafluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide is CC(C)c1cnc(NC(=O)Cc2csc(NC(=O)C(F)(F)C(F)(F)F)n2)s1.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is FWDNBSRTVKBKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F5N4O2S2/c1-6(2)8-4-20-11(27-8)22-9(24)3-7-5-26-12(21-7)23-10(25)13(15,16)14(17,18)19/h4-6H,3H2,1-2H3,(H,20,22,24)(H,21,23,25).
What are the key properties of 2,2,3,3,3-pentafluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide?
2,2,3,3,3-pentafluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 428.41 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-[4-[2-oxo-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]ethyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 11293282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).