N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide

C20H23FN4OS — CID 46968848

IUPACN-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1nn(CC(C)C(=O)Nc2ncc(Cc3ccccc3F)s2)c(C)c1C
InChIInChI=1S/C20H23FN4OS/c1-12(11-25-15(4)13(2)14(3)24-25)19(26)23-20-22-10-17(27-20)9-16-7-5-6-8-18(16)21/h5-8,10,12H,9,11H2,1-4H3,(H,22,23,26)
InChIKeyNXRLWBREPGIVDT-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.27
Rot. Bonds6

About N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide

N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (PubChem CID 46968848) has the molecular formula C20H23FN4OS and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
PubChem CID46968848
Molecular FormulaC20H23FN4OS
Molecular Weight386.50 g/mol
Exact Mass386.16
IUPAC NameN-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1nn(CC(C)C(=O)Nc2ncc(Cc3ccccc3F)s2)c(C)c1C
InChIInChI=1S/C20H23FN4OS/c1-12(11-25-15(4)13(2)14(3)24-25)19(26)23-20-22-10-17(27-20)9-16-7-5-6-8-18(16)21/h5-8,10,12H,9,11H2,1-4H3,(H,22,23,26)
InChIKeyNXRLWBREPGIVDT-UHFFFAOYSA-N
XLogP4.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (CID 46968848) is N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide is Cc1nn(CC(C)C(=O)Nc2ncc(Cc3ccccc3F)s2)c(C)c1C.
What is the InChIKey of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The InChIKey is NXRLWBREPGIVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4OS/c1-12(11-25-15(4)13(2)14(3)24-25)19(26)23-20-22-10-17(27-20)9-16-7-5-6-8-18(16)21/h5-8,10,12H,9,11H2,1-4H3,(H,22,23,26).
What are the key properties of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide has a molecular weight of 386.50 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 46968848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).