N-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-2-fluoro-5-(trifluoromethyl)benzamide

C17H20F4N2OS — CID 66643280

IUPACN-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-2-fluoro-5-(trifluoromethyl)benzamide
SMILESCCCCN1CC(C)(C)S/C1=N\C(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C17H20F4N2OS/c1-4-5-8-23-10-16(2,3)25-15(23)22-14(24)12-9-11(17(19,20)21)6-7-13(12)18/h6-7,9H,4-5,8,10H2,1-3H3/b22-15-
InChIKeyQTNDRUPJZQLEKD-JCMHNJIXSA-N
MW376.42 g/mol
LogP4.97
Rot. Bonds4

About N-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-2-fluoro-5-(trifluoromethyl)benzamide

N-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-2-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 66643280) has the molecular formula C17H20F4N2OS and a molecular weight of 376.42 g/mol. Its IUPAC name is N-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-2-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-2-fluoro-5-(trifluoromethyl)benzamide
PubChem CID66643280
Molecular FormulaC17H20F4N2OS
Molecular Weight376.42 g/mol
Exact Mass376.12
IUPAC NameN-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-2-fluoro-5-(trifluoromethyl)benzamide
SMILESCCCCN1CC(C)(C)S/C1=N\C(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C17H20F4N2OS/c1-4-5-8-23-10-16(2,3)25-15(23)22-14(24)12-9-11(17(19,20)21)6-7-13(12)18/h6-7,9H,4-5,8,10H2,1-3H3/b22-15-
InChIKeyQTNDRUPJZQLEKD-JCMHNJIXSA-N
XLogP4.97
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-2-fluoro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-2-fluoro-5-(trifluoromethyl)benzamide (CID 66643280) is N-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-2-fluoro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-2-fluoro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-2-fluoro-5-(trifluoromethyl)benzamide is CCCCN1CC(C)(C)S/C1=N\C(=O)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of N-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-2-fluoro-5-(trifluoromethyl)benzamide?
The InChIKey is QTNDRUPJZQLEKD-JCMHNJIXSA-N. The full InChI is InChI=1S/C17H20F4N2OS/c1-4-5-8-23-10-16(2,3)25-15(23)22-14(24)12-9-11(17(19,20)21)6-7-13(12)18/h6-7,9H,4-5,8,10H2,1-3H3/b22-15-.
What are the key properties of N-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-2-fluoro-5-(trifluoromethyl)benzamide?
N-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-2-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 376.42 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butyl-5,5-dimethyl-1,3-thiazolidin-2-ylidene)-2-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 66643280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).