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

C24H21N3OS — CID 11545778

IUPACN-[4-[2-ethyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
SMILESCCc1nc(-c2ccc(C)cc2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1
InChIInChI=1S/C24H21N3OS/c1-3-21-27-22(17-11-9-16(2)10-12-17)23(29-21)19-13-14-25-20(15-19)26-24(28)18-7-5-4-6-8-18/h4-15H,3H2,1-2H3,(H,25,26,28)
InChIKeyQKMDEAKFYLESLT-UHFFFAOYSA-N
MW399.52 g/mol
LogP6.00
Rot. Bonds5

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

N-[4-[2-ethyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide (PubChem CID 11545778) has the molecular formula C24H21N3OS and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[4-[2-ethyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-ethyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
PubChem CID11545778
Molecular FormulaC24H21N3OS
Molecular Weight399.52 g/mol
Exact Mass399.14
IUPAC NameN-[4-[2-ethyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
SMILESCCc1nc(-c2ccc(C)cc2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1
InChIInChI=1S/C24H21N3OS/c1-3-21-27-22(17-11-9-16(2)10-12-17)23(29-21)19-13-14-25-20(15-19)26-24(28)18-7-5-4-6-8-18/h4-15H,3H2,1-2H3,(H,25,26,28)
InChIKeyQKMDEAKFYLESLT-UHFFFAOYSA-N
XLogP6.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.52
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-ethyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
The IUPAC name of N-[4-[2-ethyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide (CID 11545778) is N-[4-[2-ethyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for N-[4-[2-ethyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
The canonical SMILES for N-[4-[2-ethyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide is CCc1nc(-c2ccc(C)cc2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1.
What is the InChIKey of N-[4-[2-ethyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
The InChIKey is QKMDEAKFYLESLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3OS/c1-3-21-27-22(17-11-9-16(2)10-12-17)23(29-21)19-13-14-25-20(15-19)26-24(28)18-7-5-4-6-8-18/h4-15H,3H2,1-2H3,(H,25,26,28).
What are the key properties of N-[4-[2-ethyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
N-[4-[2-ethyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide has a molecular weight of 399.52 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-ethyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 11545778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).