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

C24H21N3O2S — CID 11697337

IUPACN-[4-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
SMILESCCc1nc(-c2cccc(OC)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1
InChIInChI=1S/C24H21N3O2S/c1-3-21-27-22(17-10-7-11-19(14-17)29-2)23(30-21)18-12-13-25-20(15-18)26-24(28)16-8-5-4-6-9-16/h4-15H,3H2,1-2H3,(H,25,26,28)
InChIKeyGNHSVVXDPRZPKA-UHFFFAOYSA-N
MW415.52 g/mol
LogP5.70
Rot. Bonds6

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

N-[4-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide (PubChem CID 11697337) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[4-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
PubChem CID11697337
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC NameN-[4-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide
SMILESCCc1nc(-c2cccc(OC)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1
InChIInChI=1S/C24H21N3O2S/c1-3-21-27-22(17-10-7-11-19(14-17)29-2)23(30-21)18-12-13-25-20(15-18)26-24(28)16-8-5-4-6-9-16/h4-15H,3H2,1-2H3,(H,25,26,28)
InChIKeyGNHSVVXDPRZPKA-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

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Related Compounds

2-(3-Methoxyphenyl)-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]acetamide
CID 4803142
N-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 24832012
1-[(1r)-1-(3-Methoxyphenyl)ethyl]-3-(4-Pyridin-4-Yl-1,3-Thiazol-2-Yl)urea
CID 56603818
2-{3-[3-(Piperidin-4-Yl)propoxy]phenyl}-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]acetamide
CID 60097413
US10251893, Cpd 6
CID 46926811
2-(4-methoxyphenyl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
CID 44454941
6-(2-Amino-4-pyridinyl)-3-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 156021995
2-{[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]thio}-N-1,3-thiazol-2-ylacetamide
CID 1258567
2-(4-methoxyphenyl)-N-(4-(pyridin-4-yl)thiazol-2-yl)acetamide
CID 2123970
4-methoxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 2660435
3,5-dimethoxy-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 2660457
3-methoxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 5121654

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
The IUPAC name of N-[4-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide (CID 11697337) is N-[4-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for N-[4-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
The canonical SMILES for N-[4-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide is CCc1nc(-c2cccc(OC)c2)c(-c2ccnc(NC(=O)c3ccccc3)c2)s1.
What is the InChIKey of N-[4-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
The InChIKey is GNHSVVXDPRZPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-3-21-27-22(17-10-7-11-19(14-17)29-2)23(30-21)18-12-13-25-20(15-18)26-24(28)16-8-5-4-6-9-16/h4-15H,3H2,1-2H3,(H,25,26,28).
What are the key properties of N-[4-[2-ethyl-4-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide?
N-[4-[2-ethyl-4-(3-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-(3-methoxyphenyl)-1,3-thiazol-5-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 11697337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).