3,4,5-trimethoxy-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide

C20H20N2O4S2 — CID 8916252

IUPAC3,4,5-trimethoxy-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1cc(C(=O)Nc2nc(-c3ccc(SC)cc3)cs2)cc(OC)c1OC
InChIInChI=1S/C20H20N2O4S2/c1-24-16-9-13(10-17(25-2)18(16)26-3)19(23)22-20-21-15(11-28-20)12-5-7-14(27-4)8-6-12/h5-11H,1-4H3,(H,21,22,23)
InChIKeyBBQVZDCRJMNBQG-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.81
Rot. Bonds7

About 3,4,5-trimethoxy-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide

3,4,5-trimethoxy-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 8916252) has the molecular formula C20H20N2O4S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID8916252
Molecular FormulaC20H20N2O4S2
Molecular Weight416.52 g/mol
Exact Mass416.09
IUPAC Name3,4,5-trimethoxy-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1cc(C(=O)Nc2nc(-c3ccc(SC)cc3)cs2)cc(OC)c1OC
InChIInChI=1S/C20H20N2O4S2/c1-24-16-9-13(10-17(25-2)18(16)26-3)19(23)22-20-21-15(11-28-20)12-5-7-14(27-4)8-6-12/h5-11H,1-4H3,(H,21,22,23)
InChIKeyBBQVZDCRJMNBQG-UHFFFAOYSA-N
XLogP4.81
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 42008469
N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 88901622
4-methylsulfanyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
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3,4,5-trimethoxy-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 4069940
3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 4009017
4-(2-amino-2-oxoethoxy)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 27445317
N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 1458222
5-methoxy-4-(2-methoxyethoxy)-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 55466944
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 7742220
4-(2-amino-2-oxoethoxy)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
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3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 5005400

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide (CID 8916252) is 3,4,5-trimethoxy-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide is COc1cc(C(=O)Nc2nc(-c3ccc(SC)cc3)cs2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is BBQVZDCRJMNBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S2/c1-24-16-9-13(10-17(25-2)18(16)26-3)19(23)22-20-21-15(11-28-20)12-5-7-14(27-4)8-6-12/h5-11H,1-4H3,(H,21,22,23).
What are the key properties of 3,4,5-trimethoxy-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide?
3,4,5-trimethoxy-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 416.52 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 8916252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).