2,6-dimethoxy-N-[3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]benzamide

C20H20N4O3S — CID 5298321

IUPAC2,6-dimethoxy-N-[3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cccc(-c2nnc3n2CC(C)S3)c1
InChIInChI=1S/C20H20N4O3S/c1-12-11-24-18(22-23-20(24)28-12)13-6-4-7-14(10-13)21-19(25)17-15(26-2)8-5-9-16(17)27-3/h4-10,12H,11H2,1-3H3,(H,21,25)
InChIKeyVYCZNAKJVFHGQO-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.71
Rot. Bonds5

About 2,6-dimethoxy-N-[3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]benzamide

2,6-dimethoxy-N-[3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]benzamide (PubChem CID 5298321) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]benzamide
PubChem CID5298321
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name2,6-dimethoxy-N-[3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cccc(-c2nnc3n2CC(C)S3)c1
InChIInChI=1S/C20H20N4O3S/c1-12-11-24-18(22-23-20(24)28-12)13-6-4-7-14(10-13)21-19(25)17-15(26-2)8-5-9-16(17)27-3/h4-10,12H,11H2,1-3H3,(H,21,25)
InChIKeyVYCZNAKJVFHGQO-UHFFFAOYSA-N
XLogP3.71
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,6-dimethoxy-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 7593239
2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 99582165
2-methoxy-5-methyl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
CID 9373778
3-methoxy-4-methyl-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
CID 9087538
methyl 5-[[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]carbamoyl]thiophene-2-carboxylate
CID 38757487
2-(3,4-dimethoxyphenyl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]acetamide
CID 26555064
2,6-dimethoxy-N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]benzamide
CID 136773095
2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776411
2,6-dimethoxy-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108770580
methyl N-cyano-N'-[3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]carbamimidothioate
CID 169361969
6-methoxy-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]pyridine-3-carboxamide
CID 41489560
3,5-dimethoxy-4-methyl-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 39263384

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]benzamide (CID 5298321) is 2,6-dimethoxy-N-[3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]benzamide is COc1cccc(OC)c1C(=O)Nc1cccc(-c2nnc3n2CC(C)S3)c1.
What is the InChIKey of 2,6-dimethoxy-N-[3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]benzamide?
The InChIKey is VYCZNAKJVFHGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-12-11-24-18(22-23-20(24)28-12)13-6-4-7-14(10-13)21-19(25)17-15(26-2)8-5-9-16(17)27-3/h4-10,12H,11H2,1-3H3,(H,21,25).
What are the key properties of 2,6-dimethoxy-N-[3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]benzamide?
2,6-dimethoxy-N-[3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]benzamide has a molecular weight of 396.47 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[3-(6-methyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 5298321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).