N-[(4-fluorophenyl)methyl]-4-methyl-2-(6-phenylmethoxypyrazin-2-yl)-1,3-thiazole-5-carboxamide

C23H19FN4O2S — CID 24955767

IUPACN-[(4-fluorophenyl)methyl]-4-methyl-2-(6-phenylmethoxypyrazin-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cncc(OCc3ccccc3)n2)sc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C23H19FN4O2S/c1-15-21(22(29)26-11-16-7-9-18(24)10-8-16)31-23(27-15)19-12-25-13-20(28-19)30-14-17-5-3-2-4-6-17/h2-10,12-13H,11,14H2,1H3,(H,26,29)
InChIKeyNVHZOGAOUCBLSC-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.56
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-4-methyl-2-(6-phenylmethoxypyrazin-2-yl)-1,3-thiazole-5-carboxamide

N-[(4-fluorophenyl)methyl]-4-methyl-2-(6-phenylmethoxypyrazin-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 24955767) has the molecular formula C23H19FN4O2S and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methyl-2-(6-phenylmethoxypyrazin-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-methyl-2-(6-phenylmethoxypyrazin-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID24955767
Molecular FormulaC23H19FN4O2S
Molecular Weight434.50 g/mol
Exact Mass434.12
IUPAC NameN-[(4-fluorophenyl)methyl]-4-methyl-2-(6-phenylmethoxypyrazin-2-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2cncc(OCc3ccccc3)n2)sc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C23H19FN4O2S/c1-15-21(22(29)26-11-16-7-9-18(24)10-8-16)31-23(27-15)19-12-25-13-20(28-19)30-14-17-5-3-2-4-6-17/h2-10,12-13H,11,14H2,1H3,(H,26,29)
InChIKeyNVHZOGAOUCBLSC-UHFFFAOYSA-N
XLogP4.56
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-2-(6-phenylmethoxypyrazin-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methyl-2-(6-phenylmethoxypyrazin-2-yl)-1,3-thiazole-5-carboxamide (CID 24955767) is N-[(4-fluorophenyl)methyl]-4-methyl-2-(6-phenylmethoxypyrazin-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-methyl-2-(6-phenylmethoxypyrazin-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methyl-2-(6-phenylmethoxypyrazin-2-yl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2cncc(OCc3ccccc3)n2)sc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methyl-2-(6-phenylmethoxypyrazin-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is NVHZOGAOUCBLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2S/c1-15-21(22(29)26-11-16-7-9-18(24)10-8-16)31-23(27-15)19-12-25-13-20(28-19)30-14-17-5-3-2-4-6-17/h2-10,12-13H,11,14H2,1H3,(H,26,29).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-methyl-2-(6-phenylmethoxypyrazin-2-yl)-1,3-thiazole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-4-methyl-2-(6-phenylmethoxypyrazin-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 4.56, 7 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-(6-phenylmethoxypyrazin-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 24955767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).