N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3,3-dimethylbutanamide

C17H21FN2OS — CID 7518402

IUPACN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H21FN2OS/c1-17(2,3)10-15(21)19-9-8-14-11-22-16(20-14)12-4-6-13(18)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,19,21)
InChIKeySRNPBCMOLIUOCX-UHFFFAOYSA-N
MW320.43 g/mol
LogP4.04
Rot. Bonds5

About N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3,3-dimethylbutanamide

N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3,3-dimethylbutanamide (PubChem CID 7518402) has the molecular formula C17H21FN2OS and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3,3-dimethylbutanamide
PubChem CID7518402
Molecular FormulaC17H21FN2OS
Molecular Weight320.43 g/mol
Exact Mass320.14
IUPAC NameN-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCc1csc(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H21FN2OS/c1-17(2,3)10-15(21)19-9-8-14-11-22-16(20-14)12-4-6-13(18)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,19,21)
InChIKeySRNPBCMOLIUOCX-UHFFFAOYSA-N
XLogP4.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3,3-dimethylbutanamide (CID 7518402) is N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCCc1csc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3,3-dimethylbutanamide?
The InChIKey is SRNPBCMOLIUOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2OS/c1-17(2,3)10-15(21)19-9-8-14-11-22-16(20-14)12-4-6-13(18)7-5-12/h4-7,11H,8-10H2,1-3H3,(H,19,21).
What are the key properties of N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3,3-dimethylbutanamide?
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3,3-dimethylbutanamide has a molecular weight of 320.43 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 7518402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).