N-[4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide

C29H22FN3OS — CID 10162791

IUPACN-[4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide
SMILESCc1cccc(-c2nc(-c3ccc(F)cc3)sc2-c2ccnc(NC(=O)Cc3ccccc3)c2)c1
InChIInChI=1S/C29H22FN3OS/c1-19-6-5-9-22(16-19)27-28(35-29(33-27)21-10-12-24(30)13-11-21)23-14-15-31-25(18-23)32-26(34)17-20-7-3-2-4-8-20/h2-16,18H,17H2,1H3,(H,31,32,34)
InChIKeyDEBAAZLQBLIHOY-UHFFFAOYSA-N
MW479.58 g/mol
LogP7.17
Rot. Bonds6

About N-[4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide

N-[4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide (PubChem CID 10162791) has the molecular formula C29H22FN3OS and a molecular weight of 479.58 g/mol. Its IUPAC name is N-[4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide
PubChem CID10162791
Molecular FormulaC29H22FN3OS
Molecular Weight479.58 g/mol
Exact Mass479.15
IUPAC NameN-[4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide
SMILESCc1cccc(-c2nc(-c3ccc(F)cc3)sc2-c2ccnc(NC(=O)Cc3ccccc3)c2)c1
InChIInChI=1S/C29H22FN3OS/c1-19-6-5-9-22(16-19)27-28(35-29(33-27)21-10-12-24(30)13-11-21)23-14-15-31-25(18-23)32-26(34)17-20-7-3-2-4-8-20/h2-16,18H,17H2,1H3,(H,31,32,34)
InChIKeyDEBAAZLQBLIHOY-UHFFFAOYSA-N
XLogP7.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide?
The IUPAC name of N-[4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide (CID 10162791) is N-[4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide is Cc1cccc(-c2nc(-c3ccc(F)cc3)sc2-c2ccnc(NC(=O)Cc3ccccc3)c2)c1.
What is the InChIKey of N-[4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide?
The InChIKey is DEBAAZLQBLIHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22FN3OS/c1-19-6-5-9-22(16-19)27-28(35-29(33-27)21-10-12-24(30)13-11-21)23-14-15-31-25(18-23)32-26(34)17-20-7-3-2-4-8-20/h2-16,18H,17H2,1H3,(H,31,32,34).
What are the key properties of N-[4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide?
N-[4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide has a molecular weight of 479.58 g/mol, XLogP of 7.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-fluorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 10162791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).