N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2,6-dimethoxybenzamide

C20H19ClN2O3S — CID 7216559

IUPACN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H19ClN2O3S/c1-25-16-4-3-5-17(26-2)18(16)19(24)22-11-10-15-12-27-20(23-15)13-6-8-14(21)9-7-13/h3-9,12H,10-11H2,1-2H3,(H,22,24)
InChIKeyKPEGHVBBBYMRAH-UHFFFAOYSA-N
MW402.90 g/mol
LogP4.45
Rot. Bonds7

About N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2,6-dimethoxybenzamide

N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2,6-dimethoxybenzamide (PubChem CID 7216559) has the molecular formula C20H19ClN2O3S and a molecular weight of 402.90 g/mol. Its IUPAC name is N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2,6-dimethoxybenzamide
PubChem CID7216559
Molecular FormulaC20H19ClN2O3S
Molecular Weight402.90 g/mol
Exact Mass402.08
IUPAC NameN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H19ClN2O3S/c1-25-16-4-3-5-17(26-2)18(16)19(24)22-11-10-15-12-27-20(23-15)13-6-8-14(21)9-7-13/h3-9,12H,10-11H2,1-2H3,(H,22,24)
InChIKeyKPEGHVBBBYMRAH-UHFFFAOYSA-N
XLogP4.45
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2,6-dimethoxybenzamide (CID 7216559) is N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2,6-dimethoxybenzamide?
The InChIKey is KPEGHVBBBYMRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3S/c1-25-16-4-3-5-17(26-2)18(16)19(24)22-11-10-15-12-27-20(23-15)13-6-8-14(21)9-7-13/h3-9,12H,10-11H2,1-2H3,(H,22,24).
What are the key properties of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2,6-dimethoxybenzamide?
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2,6-dimethoxybenzamide has a molecular weight of 402.90 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 7216559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).