2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide

C20H20N2O3S — CID 68866908

IUPAC2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
SMILESCCc1ccc(-c2csc(-c3c(OC)cc(OC)cc3C(N)=O)n2)cc1
InChIInChI=1S/C20H20N2O3S/c1-4-12-5-7-13(8-6-12)16-11-26-20(22-16)18-15(19(21)23)9-14(24-2)10-17(18)25-3/h5-11H,4H2,1-3H3,(H2,21,23)
InChIKeyHNLIHSSZKNMMOM-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.16
Rot. Bonds6

About 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide

2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide (PubChem CID 68866908) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
PubChem CID68866908
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
SMILESCCc1ccc(-c2csc(-c3c(OC)cc(OC)cc3C(N)=O)n2)cc1
InChIInChI=1S/C20H20N2O3S/c1-4-12-5-7-13(8-6-12)16-11-26-20(22-16)18-15(19(21)23)9-14(24-2)10-17(18)25-3/h5-11H,4H2,1-3H3,(H2,21,23)
InChIKeyHNLIHSSZKNMMOM-UHFFFAOYSA-N
XLogP4.16
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide?
The IUPAC name of 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide (CID 68866908) is 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide is CCc1ccc(-c2csc(-c3c(OC)cc(OC)cc3C(N)=O)n2)cc1.
What is the InChIKey of 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide?
The InChIKey is HNLIHSSZKNMMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-4-12-5-7-13(8-6-12)16-11-26-20(22-16)18-15(19(21)23)9-14(24-2)10-17(18)25-3/h5-11H,4H2,1-3H3,(H2,21,23).
What are the key properties of 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide?
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide has a molecular weight of 368.46 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 68866908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).