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

C19H20N2O4S2 — CID 40707333

IUPAC2,4,5-trimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
SMILESCOc1cc(OC)c(C(=O)NCc2ccc(-c3csc(C)n3)s2)cc1OC
InChIInChI=1S/C19H20N2O4S2/c1-11-21-14(10-26-11)18-6-5-12(27-18)9-20-19(22)13-7-16(24-3)17(25-4)8-15(13)23-2/h5-8,10H,9H2,1-4H3,(H,20,22)
InChIKeySZDSXKMLHNWEHJ-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.14
Rot. Bonds7

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

2,4,5-trimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide (PubChem CID 40707333) has the molecular formula C19H20N2O4S2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2,4,5-trimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2,4,5-trimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
PubChem CID40707333
Molecular FormulaC19H20N2O4S2
Molecular Weight404.51 g/mol
Exact Mass404.09
IUPAC Name2,4,5-trimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
SMILESCOc1cc(OC)c(C(=O)NCc2ccc(-c3csc(C)n3)s2)cc1OC
InChIInChI=1S/C19H20N2O4S2/c1-11-21-14(10-26-11)18-6-5-12(27-18)9-20-19(22)13-7-16(24-3)17(25-4)8-15(13)23-2/h5-8,10H,9H2,1-4H3,(H,20,22)
InChIKeySZDSXKMLHNWEHJ-UHFFFAOYSA-N
XLogP4.14
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 8940470
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 24516217
2-(5-chloro-2-methoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide
CID 8941562
3-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 8940413
3-fluoro-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 17488005
5-methoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8941390
3-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide
CID 17488570
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide
CID 8940929
N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-6-nitro-1,3-benzodioxole-5-carboxamide
CID 24641513
3-(2,3-dimethoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]propanamide
CID 8941429
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]prop-2-enamide
CID 8941359
2-(methylamino)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-5-nitrobenzamide
CID 24532528

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide?
The IUPAC name of 2,4,5-trimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide (CID 40707333) is 2,4,5-trimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 2,4,5-trimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide?
The canonical SMILES for 2,4,5-trimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide is COc1cc(OC)c(C(=O)NCc2ccc(-c3csc(C)n3)s2)cc1OC.
What is the InChIKey of 2,4,5-trimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide?
The InChIKey is SZDSXKMLHNWEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S2/c1-11-21-14(10-26-11)18-6-5-12(27-18)9-20-19(22)13-7-16(24-3)17(25-4)8-15(13)23-2/h5-8,10H,9H2,1-4H3,(H,20,22).
What are the key properties of 2,4,5-trimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide?
2,4,5-trimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide has a molecular weight of 404.51 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethoxy-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 40707333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).