N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2,3,3-tetrafluoropropanamide

C15H20F4N2OS — CID 59866055

IUPACN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2,3,3-tetrafluoropropanamide
SMILESCc1c(C(C)(C)C)s/c(=N\C(=O)C(F)(F)C(F)F)n1CC1CC1
InChIInChI=1S/C15H20F4N2OS/c1-8-10(14(2,3)4)23-13(21(8)7-9-5-6-9)20-12(22)15(18,19)11(16)17/h9,11H,5-7H2,1-4H3/b20-13-
InChIKeyFAURSVISWKNDHA-MOSHPQCFSA-N
MW352.40 g/mol
LogP3.89
Rot. Bonds4

About N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2,3,3-tetrafluoropropanamide

N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2,3,3-tetrafluoropropanamide (PubChem CID 59866055) has the molecular formula C15H20F4N2OS and a molecular weight of 352.40 g/mol. Its IUPAC name is N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2,3,3-tetrafluoropropanamide
PubChem CID59866055
Molecular FormulaC15H20F4N2OS
Molecular Weight352.40 g/mol
Exact Mass352.12
IUPAC NameN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2,3,3-tetrafluoropropanamide
SMILESCc1c(C(C)(C)C)s/c(=N\C(=O)C(F)(F)C(F)F)n1CC1CC1
InChIInChI=1S/C15H20F4N2OS/c1-8-10(14(2,3)4)23-13(21(8)7-9-5-6-9)20-12(22)15(18,19)11(16)17/h9,11H,5-7H2,1-4H3/b20-13-
InChIKeyFAURSVISWKNDHA-MOSHPQCFSA-N
XLogP3.89
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2,3,3-tetrafluoropropanamide (CID 59866055) is N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2,3,3-tetrafluoropropanamide is Cc1c(C(C)(C)C)s/c(=N\C(=O)C(F)(F)C(F)F)n1CC1CC1.
What is the InChIKey of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2,3,3-tetrafluoropropanamide?
The InChIKey is FAURSVISWKNDHA-MOSHPQCFSA-N. The full InChI is InChI=1S/C15H20F4N2OS/c1-8-10(14(2,3)4)23-13(21(8)7-9-5-6-9)20-12(22)15(18,19)11(16)17/h9,11H,5-7H2,1-4H3/b20-13-.
What are the key properties of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2,3,3-tetrafluoropropanamide?
N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2,3,3-tetrafluoropropanamide has a molecular weight of 352.40 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 59866055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).