N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dimethoxybenzamide

C22H23N3O3S — CID 26841276

IUPACN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c1OC
InChIInChI=1S/C22H23N3O3S/c1-27-18-10-6-9-16(20(18)28-2)21(26)24-22-23-17-11-12-25(14-19(17)29-22)13-15-7-4-3-5-8-15/h3-10H,11-14H2,1-2H3,(H,23,24,26)
InChIKeyXVNJCXQPEYINGW-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.97
Rot. Bonds6

About N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dimethoxybenzamide

N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dimethoxybenzamide (PubChem CID 26841276) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dimethoxybenzamide
PubChem CID26841276
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c1OC
InChIInChI=1S/C22H23N3O3S/c1-27-18-10-6-9-16(20(18)28-2)21(26)24-22-23-17-11-12-25(14-19(17)29-22)13-15-7-4-3-5-8-15/h3-10H,11-14H2,1-2H3,(H,23,24,26)
InChIKeyXVNJCXQPEYINGW-UHFFFAOYSA-N
XLogP3.97
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dimethoxybenzamide?
The IUPAC name of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dimethoxybenzamide (CID 26841276) is N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dimethoxybenzamide?
The canonical SMILES for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dimethoxybenzamide is COc1cccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c1OC.
What is the InChIKey of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dimethoxybenzamide?
The InChIKey is XVNJCXQPEYINGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-27-18-10-6-9-16(20(18)28-2)21(26)24-22-23-17-11-12-25(14-19(17)29-22)13-15-7-4-3-5-8-15/h3-10H,11-14H2,1-2H3,(H,23,24,26).
What are the key properties of N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dimethoxybenzamide?
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dimethoxybenzamide has a molecular weight of 409.51 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2,3-dimethoxybenzamide is sourced from PubChem (CID 26841276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).