N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide

C14H11F5N2OS — CID 2251173

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
SMILESCC(C)(C)c1csc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)n1
InChIInChI=1S/C14H11F5N2OS/c1-14(2,3)5-4-23-13(20-5)21-12(22)6-7(15)9(17)11(19)10(18)8(6)16/h4H,1-3H3,(H,20,21,22)
InChIKeyUVMVZXKOSAMHAM-UHFFFAOYSA-N
MW350.31 g/mol
LogP4.39
Rot. Bonds2

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide (PubChem CID 2251173) has the molecular formula C14H11F5N2OS and a molecular weight of 350.31 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
PubChem CID2251173
Molecular FormulaC14H11F5N2OS
Molecular Weight350.31 g/mol
Exact Mass350.05
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide
SMILESCC(C)(C)c1csc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)n1
InChIInChI=1S/C14H11F5N2OS/c1-14(2,3)5-4-23-13(20-5)21-12(22)6-7(15)9(17)11(19)10(18)8(6)16/h4H,1-3H3,(H,20,21,22)
InChIKeyUVMVZXKOSAMHAM-UHFFFAOYSA-N
XLogP4.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.31
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide (CID 2251173) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide is CC(C)(C)c1csc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide?
The InChIKey is UVMVZXKOSAMHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F5N2OS/c1-14(2,3)5-4-23-13(20-5)21-12(22)6-7(15)9(17)11(19)10(18)8(6)16/h4H,1-3H3,(H,20,21,22).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide has a molecular weight of 350.31 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2,3,4,5,6-pentafluorobenzamide is sourced from PubChem (CID 2251173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).