N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenoxyethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide

C23H21FN4O2S — CID 59489553

IUPACN-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenoxyethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccn(CCOc3ccccc3)n2)sc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C23H21FN4O2S/c1-16-21(22(29)25-15-17-7-9-18(24)10-8-17)31-23(26-16)20-11-12-28(27-20)13-14-30-19-5-3-2-4-6-19/h2-12H,13-15H2,1H3,(H,25,29)
InChIKeyPDHGYOLSCBGQBD-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.46
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenoxyethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide

N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenoxyethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 59489553) has the molecular formula C23H21FN4O2S and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenoxyethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenoxyethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID59489553
Molecular FormulaC23H21FN4O2S
Molecular Weight436.51 g/mol
Exact Mass436.14
IUPAC NameN-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenoxyethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccn(CCOc3ccccc3)n2)sc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C23H21FN4O2S/c1-16-21(22(29)25-15-17-7-9-18(24)10-8-17)31-23(26-16)20-11-12-28(27-20)13-14-30-19-5-3-2-4-6-19/h2-12H,13-15H2,1H3,(H,25,29)
InChIKeyPDHGYOLSCBGQBD-UHFFFAOYSA-N
XLogP4.46
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenoxyethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenoxyethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenoxyethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide (CID 59489553) is N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenoxyethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenoxyethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenoxyethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccn(CCOc3ccccc3)n2)sc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenoxyethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is PDHGYOLSCBGQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2S/c1-16-21(22(29)25-15-17-7-9-18(24)10-8-17)31-23(26-16)20-11-12-28(27-20)13-14-30-19-5-3-2-4-6-19/h2-12H,13-15H2,1H3,(H,25,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenoxyethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenoxyethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-phenoxyethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59489553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).