4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide

C20H18F2N2OS — CID 4034255

IUPAC4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1
InChIInChI=1S/C20H18F2N2OS/c1-20(2,3)14-7-4-12(5-8-14)18(25)24-19-23-17(11-26-19)13-6-9-15(21)16(22)10-13/h4-11H,1-3H3,(H,23,24,25)
InChIKeyLVJVNMXZVZNLIP-UHFFFAOYSA-N
MW372.44 g/mol
LogP5.64
Rot. Bonds3

About 4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide

4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 4034255) has the molecular formula C20H18F2N2OS and a molecular weight of 372.44 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID4034255
Molecular FormulaC20H18F2N2OS
Molecular Weight372.44 g/mol
Exact Mass372.11
IUPAC Name4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1
InChIInChI=1S/C20H18F2N2OS/c1-20(2,3)14-7-4-12(5-8-14)18(25)24-19-23-17(11-26-19)13-6-9-15(21)16(22)10-13/h4-11H,1-3H3,(H,23,24,25)
InChIKeyLVJVNMXZVZNLIP-UHFFFAOYSA-N
XLogP5.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.44
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzamide
CID 16820840
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-ethylsulfonylbenzamide
CID 16820846
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 7742220
4-(2-amino-2-oxoethoxy)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 8565270
3,4-difluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 30435747
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfanylbenzamide
CID 16910435
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 4120073
4-tert-butyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 19181134
5-bromo-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 3998198
5-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 26694315
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-methylthiophene-2-carboxamide
CID 8801425
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methylsulfonyl-3-nitrobenzamide
CID 26176205

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide (CID 4034255) is 4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is LVJVNMXZVZNLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2OS/c1-20(2,3)14-7-4-12(5-8-14)18(25)24-19-23-17(11-26-19)13-6-9-15(21)16(22)10-13/h4-11H,1-3H3,(H,23,24,25).
What are the key properties of 4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide?
4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 372.44 g/mol, XLogP of 5.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 4034255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).