N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide

C19H16Cl2N2O2S — CID 3497765

IUPACN-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C19H16Cl2N2O2S/c1-2-25-17-6-4-3-5-14(17)18(24)23-19-22-11-13(26-19)9-12-7-8-15(20)16(21)10-12/h3-8,10-11H,2,9H2,1H3,(H,22,23,24)
InChIKeyXETMLMPDYHEPFG-UHFFFAOYSA-N
MW407.32 g/mol
LogP5.69
Rot. Bonds6

About N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide

N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide (PubChem CID 3497765) has the molecular formula C19H16Cl2N2O2S and a molecular weight of 407.32 g/mol. Its IUPAC name is N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide
PubChem CID3497765
Molecular FormulaC19H16Cl2N2O2S
Molecular Weight407.32 g/mol
Exact Mass406.03
IUPAC NameN-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C19H16Cl2N2O2S/c1-2-25-17-6-4-3-5-14(17)18(24)23-19-22-11-13(26-19)9-12-7-8-15(20)16(21)10-12/h3-8,10-11H,2,9H2,1H3,(H,22,23,24)
InChIKeyXETMLMPDYHEPFG-UHFFFAOYSA-N
XLogP5.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.32
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 3891053
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
CID 25494557
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-ethoxybenzamide
CID 5025499
N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propoxybenzamide
CID 4651810
N-(5-benzyl-1,3-thiazol-2-yl)-2-butoxybenzamide
CID 4254438
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
CID 46536911
2-propan-2-yloxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 4306708
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 18827701
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 23792381
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide
CID 52559723
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
CID 42027870
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-1-oxoisochromene-3-carboxamide
CID 4904458

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide?
The IUPAC name of N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide (CID 3497765) is N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide.
What is the SMILES notation for N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide?
The canonical SMILES for N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide?
The InChIKey is XETMLMPDYHEPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2S/c1-2-25-17-6-4-3-5-14(17)18(24)23-19-22-11-13(26-19)9-12-7-8-15(20)16(21)10-12/h3-8,10-11H,2,9H2,1H3,(H,22,23,24).
What are the key properties of N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide?
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide has a molecular weight of 407.32 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide is sourced from PubChem (CID 3497765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).