2,4-dichloro-N-[3-[[3-(pyridin-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide

C24H18Cl2N4O2S — CID 51067332

IUPAC2,4-dichloro-N-[3-[[3-(pyridin-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
SMILESO=C(NCc1ccccn1)c1cccc(Cn2ccs/c2=N/C(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C24H18Cl2N4O2S/c25-18-7-8-20(21(26)13-18)23(32)29-24-30(10-11-33-24)15-16-4-3-5-17(12-16)22(31)28-14-19-6-1-2-9-27-19/h1-13H,14-15H2,(H,28,31)/b29-24+
InChIKeyWPWHIEPQLKPBMZ-RMLRFSFXSA-N
MW497.41 g/mol
LogP4.97
Rot. Bonds6

About 2,4-dichloro-N-[3-[[3-(pyridin-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide

2,4-dichloro-N-[3-[[3-(pyridin-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide (PubChem CID 51067332) has the molecular formula C24H18Cl2N4O2S and a molecular weight of 497.41 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-[[3-(pyridin-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-[[3-(pyridin-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
PubChem CID51067332
Molecular FormulaC24H18Cl2N4O2S
Molecular Weight497.41 g/mol
Exact Mass496.05
IUPAC Name2,4-dichloro-N-[3-[[3-(pyridin-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
SMILESO=C(NCc1ccccn1)c1cccc(Cn2ccs/c2=N/C(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C24H18Cl2N4O2S/c25-18-7-8-20(21(26)13-18)23(32)29-24-30(10-11-33-24)15-16-4-3-5-17(12-16)22(31)28-14-19-6-1-2-9-27-19/h1-13H,14-15H2,(H,28,31)/b29-24+
InChIKeyWPWHIEPQLKPBMZ-RMLRFSFXSA-N
XLogP4.97
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.41
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 9414396
3-chloro-N-[3-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
CID 46137185
3,4-dimethoxy-N-[3-[[3-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
CID 51067339
N-[3-(pyridin-2-ylmethyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 156824247
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 36714452
2-chloro-4-fluoro-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55783783
1-N-(pyridin-2-ylmethyl)-3-N-sulfanylbenzene-1,3-dicarboxamide
CID 143484238
3,4-dichloro-N-[3-[(2S)-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]-1,3-thiazol-2-ylidene]benzamide
CID 93306605
3-phenyl-N-(pyridin-2-ylmethyl)benzamide
CID 110724423
3-[[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]amino]-N-(pyridin-2-ylmethyl)benzamide
CID 98827364
N-(pyridin-2-ylmethyl)-3-thiophen-2-ylbenzamide
CID 4015400
1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054659

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-[[3-(pyridin-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-[[3-(pyridin-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide (CID 51067332) is 2,4-dichloro-N-[3-[[3-(pyridin-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-[[3-(pyridin-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-[[3-(pyridin-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide is O=C(NCc1ccccn1)c1cccc(Cn2ccs/c2=N/C(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[3-[[3-(pyridin-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide?
The InChIKey is WPWHIEPQLKPBMZ-RMLRFSFXSA-N. The full InChI is InChI=1S/C24H18Cl2N4O2S/c25-18-7-8-20(21(26)13-18)23(32)29-24-30(10-11-33-24)15-16-4-3-5-17(12-16)22(31)28-14-19-6-1-2-9-27-19/h1-13H,14-15H2,(H,28,31)/b29-24+.
What are the key properties of 2,4-dichloro-N-[3-[[3-(pyridin-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide?
2,4-dichloro-N-[3-[[3-(pyridin-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide has a molecular weight of 497.41 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-[[3-(pyridin-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide is sourced from PubChem (CID 51067332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).