N-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]benzamide

C21H17N3O3S — CID 122205415

IUPACN-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]benzamide
SMILESCOc1ccc(-c2cnc3c(NC(=O)c4ccccc4)snc3c2)cc1OC
InChIInChI=1S/C21H17N3O3S/c1-26-17-9-8-14(11-18(17)27-2)15-10-16-19(22-12-15)21(28-24-16)23-20(25)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,23,25)
InChIKeyHUVNXBZVUCRXTO-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.63
Rot. Bonds5

About N-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]benzamide

N-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]benzamide (PubChem CID 122205415) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]benzamide.

Molecular Properties

Compound NameN-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]benzamide
PubChem CID122205415
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]benzamide
SMILESCOc1ccc(-c2cnc3c(NC(=O)c4ccccc4)snc3c2)cc1OC
InChIInChI=1S/C21H17N3O3S/c1-26-17-9-8-14(11-18(17)27-2)15-10-16-19(22-12-15)21(28-24-16)23-20(25)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,23,25)
InChIKeyHUVNXBZVUCRXTO-UHFFFAOYSA-N
XLogP4.63
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]benzamide?
The IUPAC name of N-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]benzamide (CID 122205415) is N-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]benzamide.
What is the SMILES notation for N-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]benzamide?
The canonical SMILES for N-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]benzamide is COc1ccc(-c2cnc3c(NC(=O)c4ccccc4)snc3c2)cc1OC.
What is the InChIKey of N-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]benzamide?
The InChIKey is HUVNXBZVUCRXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-26-17-9-8-14(11-18(17)27-2)15-10-16-19(22-12-15)21(28-24-16)23-20(25)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,23,25).
What are the key properties of N-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]benzamide?
N-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]benzamide has a molecular weight of 391.45 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-dimethoxyphenyl)-[1,2]thiazolo[4,3-b]pyridin-3-yl]benzamide is sourced from PubChem (CID 122205415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).