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

C19H16N2O3S2 — CID 5060191

IUPAC3,5-dimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc3c(s2)CSc2ccccc2-3)c1
InChIInChI=1S/C19H16N2O3S2/c1-23-12-7-11(8-13(9-12)24-2)18(22)21-19-20-17-14-5-3-4-6-15(14)25-10-16(17)26-19/h3-9H,10H2,1-2H3,(H,20,21,22)
InChIKeyDBLRXVYHMFOLNY-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.69
Rot. Bonds4

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

3,5-dimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide (PubChem CID 5060191) has the molecular formula C19H16N2O3S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
PubChem CID5060191
Molecular FormulaC19H16N2O3S2
Molecular Weight384.48 g/mol
Exact Mass384.06
IUPAC Name3,5-dimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2nc3c(s2)CSc2ccccc2-3)c1
InChIInChI=1S/C19H16N2O3S2/c1-23-12-7-11(8-13(9-12)24-2)18(22)21-19-20-17-14-5-3-4-6-15(14)25-10-16(17)26-19/h3-9H,10H2,1-2H3,(H,20,21,22)
InChIKeyDBLRXVYHMFOLNY-UHFFFAOYSA-N
XLogP4.69
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 4279938
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
1-(4-methoxyphenyl)sulfonyl-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)piperidine-3-carboxamide
CID 16829204
2-(2,4-dimethylphenyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide
CID 8670561
N-benzo[e][1,3]benzothiazol-2-yl-3,5-dimethoxybenzamide
CID 5244881
3,5-dimethoxy-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]benzamide
CID 959053
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 19211438

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide?
The IUPAC name of 3,5-dimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide (CID 5060191) is 3,5-dimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide?
The canonical SMILES for 3,5-dimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide is COc1cc(OC)cc(C(=O)Nc2nc3c(s2)CSc2ccccc2-3)c1.
What is the InChIKey of 3,5-dimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide?
The InChIKey is DBLRXVYHMFOLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S2/c1-23-12-7-11(8-13(9-12)24-2)18(22)21-19-20-17-14-5-3-4-6-15(14)25-10-16(17)26-19/h3-9H,10H2,1-2H3,(H,20,21,22).
What are the key properties of 3,5-dimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide?
3,5-dimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide has a molecular weight of 384.48 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide is sourced from PubChem (CID 5060191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).