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

C20H18N2O4S2 — CID 4279938

IUPAC3,4,5-trimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nc3c(s2)CSc2ccccc2-3)cc(OC)c1OC
InChIInChI=1S/C20H18N2O4S2/c1-24-13-8-11(9-14(25-2)18(13)26-3)19(23)22-20-21-17-12-6-4-5-7-15(12)27-10-16(17)28-20/h4-9H,10H2,1-3H3,(H,21,22,23)
InChIKeyJBTRZMXVNANTTP-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.69
Rot. Bonds5

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

3,4,5-trimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide (PubChem CID 4279938) has the molecular formula C20H18N2O4S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
PubChem CID4279938
Molecular FormulaC20H18N2O4S2
Molecular Weight414.51 g/mol
Exact Mass414.07
IUPAC Name3,4,5-trimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
SMILESCOc1cc(C(=O)Nc2nc3c(s2)CSc2ccccc2-3)cc(OC)c1OC
InChIInChI=1S/C20H18N2O4S2/c1-24-13-8-11(9-14(25-2)18(13)26-3)19(23)22-20-21-17-12-6-4-5-7-15(12)27-10-16(17)28-20/h4-9H,10H2,1-3H3,(H,21,22,23)
InChIKeyJBTRZMXVNANTTP-UHFFFAOYSA-N
XLogP4.69
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 5060191
N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)-4-[4-(4H-thiochromeno[4,3-d][1,3]thiazol-2-ylcarbamoyl)phenoxy]benzamide
CID 5154304
3-fluoro-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 3290409
4-(diethylsulfamoyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 4294898
4-(azepan-1-ylsulfonyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 3602415
N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)-1,2-oxazole-5-carboxamide
CID 18587269
4-[methyl(phenyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 3346908
2-naphthalen-2-yl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide
CID 16849393
N-[5-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 999954
2-(2,4-dimethylphenyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide
CID 8670561
N-(4H-indeno[1,2-d][1,3]thiazol-2-yl)-2,3-dimethoxybenzamide
CID 7533037
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3,4,5-trimethoxybenzamide
CID 2382313

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide (CID 4279938) is 3,4,5-trimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide is COc1cc(C(=O)Nc2nc3c(s2)CSc2ccccc2-3)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide?
The InChIKey is JBTRZMXVNANTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S2/c1-24-13-8-11(9-14(25-2)18(13)26-3)19(23)22-20-21-17-12-6-4-5-7-15(12)27-10-16(17)28-20/h4-9H,10H2,1-3H3,(H,21,22,23).
What are the key properties of 3,4,5-trimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide?
3,4,5-trimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide has a molecular weight of 414.51 g/mol, XLogP of 4.69, 5 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-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide is sourced from PubChem (CID 4279938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).