4-tert-butyl-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide

C23H25FN2OS — CID 7207721

IUPAC4-tert-butyl-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
SMILESCc1nc(-c2ccc(F)cc2)sc1CCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H25FN2OS/c1-15-20(28-22(26-15)17-7-11-19(24)12-8-17)13-14-25-21(27)16-5-9-18(10-6-16)23(2,3)4/h5-12H,13-14H2,1-4H3,(H,25,27)
InChIKeyUBNXZNVLXDZWHL-UHFFFAOYSA-N
MW396.53 g/mol
LogP5.53
Rot. Bonds5

About 4-tert-butyl-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide

4-tert-butyl-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide (PubChem CID 7207721) has the molecular formula C23H25FN2OS and a molecular weight of 396.53 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
PubChem CID7207721
Molecular FormulaC23H25FN2OS
Molecular Weight396.53 g/mol
Exact Mass396.17
IUPAC Name4-tert-butyl-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
SMILESCc1nc(-c2ccc(F)cc2)sc1CCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C23H25FN2OS/c1-15-20(28-22(26-15)17-7-11-19(24)12-8-17)13-14-25-21(27)16-5-9-18(10-6-16)23(2,3)4/h5-12H,13-14H2,1-4H3,(H,25,27)
InChIKeyUBNXZNVLXDZWHL-UHFFFAOYSA-N
XLogP5.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide (CID 7207721) is 4-tert-butyl-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide is Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide?
The InChIKey is UBNXZNVLXDZWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2OS/c1-15-20(28-22(26-15)17-7-11-19(24)12-8-17)13-14-25-21(27)16-5-9-18(10-6-16)23(2,3)4/h5-12H,13-14H2,1-4H3,(H,25,27).
What are the key properties of 4-tert-butyl-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide?
4-tert-butyl-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide has a molecular weight of 396.53 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 7207721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).