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

C19H16Cl2N2O2S — CID 3891053

IUPACN-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C19H16Cl2N2O2S/c1-2-25-17-6-4-3-5-15(17)18(24)23-19-22-11-14(26-19)10-12-9-13(20)7-8-16(12)21/h3-9,11H,2,10H2,1H3,(H,22,23,24)
InChIKeyZXZIVYOJILUUJP-UHFFFAOYSA-N
MW407.32 g/mol
LogP5.69
Rot. Bonds6

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

N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide (PubChem CID 3891053) has the molecular formula C19H16Cl2N2O2S and a molecular weight of 407.32 g/mol. Its IUPAC name is N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide
PubChem CID3891053
Molecular FormulaC19H16Cl2N2O2S
Molecular Weight407.32 g/mol
Exact Mass406.03
IUPAC NameN-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1
InChIInChI=1S/C19H16Cl2N2O2S/c1-2-25-17-6-4-3-5-15(17)18(24)23-19-22-11-14(26-19)10-12-9-13(20)7-8-16(12)21/h3-9,11H,2,10H2,1H3,(H,22,23,24)
InChIKeyZXZIVYOJILUUJP-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-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 3497765
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 18836184
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3,4-trimethoxybenzamide
CID 112766840
2-butoxy-N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 3276355
N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]-2-propan-2-yloxybenzamide
CID 4540201
5-acetamido-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 60567350
2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2461029
2-(2,5-dichlorophenoxy)-N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23800530
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-heptoxybenzamide
CID 3928165
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylmethoxybenzamide
CID 5139165
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,5-dichlorophenoxy)acetamide
CID 23939959
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45273521

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide?
The IUPAC name of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide (CID 3891053) is N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide.
What is the SMILES notation for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide?
The canonical SMILES for N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1.
What is the InChIKey of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide?
The InChIKey is ZXZIVYOJILUUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2S/c1-2-25-17-6-4-3-5-15(17)18(24)23-19-22-11-14(26-19)10-12-9-13(20)7-8-16(12)21/h3-9,11H,2,10H2,1H3,(H,22,23,24).
What are the key properties of N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide?
N-[5-[(2,5-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-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide is sourced from PubChem (CID 3891053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).