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

C20H20FN3OS — CID 162666228

IUPACN-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)Cc1nc(-c2ccncc2)sc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C20H20FN3OS/c1-13(2)11-17-18(26-20(24-17)15-7-9-22-10-8-15)19(25)23-12-14-3-5-16(21)6-4-14/h3-10,13H,11-12H2,1-2H3,(H,23,25)
InChIKeyMLUJVOAYOZJVIF-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.47
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 162666228) has the molecular formula C20H20FN3OS and a molecular weight of 369.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID162666228
Molecular FormulaC20H20FN3OS
Molecular Weight369.46 g/mol
Exact Mass369.13
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESCC(C)Cc1nc(-c2ccncc2)sc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C20H20FN3OS/c1-13(2)11-17-18(26-20(24-17)15-7-9-22-10-8-15)19(25)23-12-14-3-5-16(21)6-4-14/h3-10,13H,11-12H2,1-2H3,(H,23,25)
InChIKeyMLUJVOAYOZJVIF-UHFFFAOYSA-N
XLogP4.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (CID 162666228) is N-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is CC(C)Cc1nc(-c2ccncc2)sc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is MLUJVOAYOZJVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3OS/c1-13(2)11-17-18(26-20(24-17)15-7-9-22-10-8-15)19(25)23-12-14-3-5-16(21)6-4-14/h3-10,13H,11-12H2,1-2H3,(H,23,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 369.46 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 162666228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).