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

C24H21N3O2S — CID 11618535

IUPACN-[4-[2-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
SMILESCCc1nc(-c2ccc(OC)cc2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1
InChIInChI=1S/C24H21N3O2S/c1-3-21-27-22(16-9-11-19(29-2)12-10-16)23(30-21)18-13-14-25-20(15-18)26-24(28)17-7-5-4-6-8-17/h4-15H,3H2,1-2H3,(H,25,26,28)
InChIKeyUYXOULQSDIICBV-UHFFFAOYSA-N
MW415.52 g/mol
LogP5.70
Rot. Bonds6

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

N-[4-[2-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide (PubChem CID 11618535) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[4-[2-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
PubChem CID11618535
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC NameN-[4-[2-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
SMILESCCc1nc(-c2ccc(OC)cc2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1
InChIInChI=1S/C24H21N3O2S/c1-3-21-27-22(16-9-11-19(29-2)12-10-16)23(30-21)18-13-14-25-20(15-18)26-24(28)17-7-5-4-6-8-17/h4-15H,3H2,1-2H3,(H,25,26,28)
InChIKeyUYXOULQSDIICBV-UHFFFAOYSA-N
XLogP5.70
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide 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-[2-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
The IUPAC name of N-[4-[2-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide (CID 11618535) is N-[4-[2-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for N-[4-[2-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
The canonical SMILES for N-[4-[2-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide is CCc1nc(-c2ccc(OC)cc2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1.
What is the InChIKey of N-[4-[2-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
The InChIKey is UYXOULQSDIICBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-3-21-27-22(16-9-11-19(29-2)12-10-16)23(30-21)18-13-14-25-20(15-18)26-24(28)17-7-5-4-6-8-17/h4-15H,3H2,1-2H3,(H,25,26,28).
What are the key properties of N-[4-[2-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
N-[4-[2-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide has a molecular weight of 415.52 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-ethyl-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 11618535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).