N-(3,4-dimethoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide

C21H22N4O5S — CID 18567666

IUPACN-(3,4-dimethoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2ccc(OC)c(OC)c2)cs1
InChIInChI=1S/C21H22N4O5S/c1-28-16-7-5-4-6-15(16)24-20(27)25-21-23-14(12-31-21)11-19(26)22-13-8-9-17(29-2)18(10-13)30-3/h4-10,12H,11H2,1-3H3,(H,22,26)(H2,23,24,25,27)
InChIKeyPAOQOQFLHKKZGZ-UHFFFAOYSA-N
MW442.50 g/mol
LogP3.99
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide

N-(3,4-dimethoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide (PubChem CID 18567666) has the molecular formula C21H22N4O5S and a molecular weight of 442.50 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
PubChem CID18567666
Molecular FormulaC21H22N4O5S
Molecular Weight442.50 g/mol
Exact Mass442.13
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2ccc(OC)c(OC)c2)cs1
InChIInChI=1S/C21H22N4O5S/c1-28-16-7-5-4-6-15(16)24-20(27)25-21-23-14(12-31-21)11-19(26)22-13-8-9-17(29-2)18(10-13)30-3/h4-10,12H,11H2,1-3H3,(H,22,26)(H2,23,24,25,27)
InChIKeyPAOQOQFLHKKZGZ-UHFFFAOYSA-N
XLogP3.99
TPSA110.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(3,4-dimethoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide 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-(3,4-dimethoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide (CID 18567666) is N-(3,4-dimethoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide is COc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2ccc(OC)c(OC)c2)cs1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
The InChIKey is PAOQOQFLHKKZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5S/c1-28-16-7-5-4-6-15(16)24-20(27)25-21-23-14(12-31-21)11-19(26)22-13-8-9-17(29-2)18(10-13)30-3/h4-10,12H,11H2,1-3H3,(H,22,26)(H2,23,24,25,27).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
N-(3,4-dimethoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 442.50 g/mol, XLogP of 3.99, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 18567666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).