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

C20H19ClN2O3S — CID 7216579

IUPACN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c(OC)c1
InChIInChI=1S/C20H19ClN2O3S/c1-25-16-7-8-17(18(11-16)26-2)19(24)22-10-9-15-12-27-20(23-15)13-3-5-14(21)6-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)
InChIKeyISGXHHMMIKFDRQ-UHFFFAOYSA-N
MW402.90 g/mol
LogP4.45
Rot. Bonds7

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

N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dimethoxybenzamide (PubChem CID 7216579) 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]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dimethoxybenzamide
PubChem CID7216579
Molecular FormulaC20H19ClN2O3S
Molecular Weight402.90 g/mol
Exact Mass402.08
IUPAC NameN-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c(OC)c1
InChIInChI=1S/C20H19ClN2O3S/c1-25-16-7-8-17(18(11-16)26-2)19(24)22-10-9-15-12-27-20(23-15)13-3-5-14(21)6-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)
InChIKeyISGXHHMMIKFDRQ-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]-2,4-dimethoxybenzamide?
The IUPAC name of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dimethoxybenzamide (CID 7216579) is N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c(OC)c1.
What is the InChIKey of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dimethoxybenzamide?
The InChIKey is ISGXHHMMIKFDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3S/c1-25-16-7-8-17(18(11-16)26-2)19(24)22-10-9-15-12-27-20(23-15)13-3-5-14(21)6-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,22,24).
What are the key properties of N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2,4-dimethoxybenzamide?
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2,4-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]-2,4-dimethoxybenzamide is sourced from PubChem (CID 7216579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).