3-chloro-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzamide

C19H16Cl2N2O2S — CID 35541475

IUPAC3-chloro-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1Cl
InChIInChI=1S/C19H16Cl2N2O2S/c1-25-17-7-4-13(10-16(17)21)18(24)22-9-8-15-11-26-19(23-15)12-2-5-14(20)6-3-12/h2-7,10-11H,8-9H2,1H3,(H,22,24)
InChIKeyBKWLLYRKYMKKML-UHFFFAOYSA-N
MW407.32 g/mol
LogP5.10
Rot. Bonds6

About 3-chloro-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzamide

3-chloro-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzamide (PubChem CID 35541475) has the molecular formula C19H16Cl2N2O2S and a molecular weight of 407.32 g/mol. Its IUPAC name is 3-chloro-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzamide
PubChem CID35541475
Molecular FormulaC19H16Cl2N2O2S
Molecular Weight407.32 g/mol
Exact Mass406.03
IUPAC Name3-chloro-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1Cl
InChIInChI=1S/C19H16Cl2N2O2S/c1-25-17-7-4-13(10-16(17)21)18(24)22-9-8-15-11-26-19(23-15)12-2-5-14(20)6-3-12/h2-7,10-11H,8-9H2,1H3,(H,22,24)
InChIKeyBKWLLYRKYMKKML-UHFFFAOYSA-N
XLogP5.10
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 ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3,4-dimethoxybenzamide
CID 7216582
3-chloro-4-methoxy-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 23613074
3-chloro-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7119199
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzamide
CID 7216558
3,4-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287435
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 7518387
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 9404295
4-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287432
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 7518338
1-[4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-3-methoxyphenyl]ethanone
CID 112788067
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-ethoxybenzamide
CID 7518325
methyl 4-[[2-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethylamino]-2-oxoacetyl]amino]benzoate
CID 20965753

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzamide?
The IUPAC name of 3-chloro-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzamide (CID 35541475) is 3-chloro-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzamide.
What is the SMILES notation for 3-chloro-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzamide?
The canonical SMILES for 3-chloro-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1Cl.
What is the InChIKey of 3-chloro-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzamide?
The InChIKey is BKWLLYRKYMKKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O2S/c1-25-17-7-4-13(10-16(17)21)18(24)22-9-8-15-11-26-19(23-15)12-2-5-14(20)6-3-12/h2-7,10-11H,8-9H2,1H3,(H,22,24).
What are the key properties of 3-chloro-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzamide?
3-chloro-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzamide has a molecular weight of 407.32 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 35541475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).