N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide

C22H22N2O3S — CID 3170657

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccc(-c2csc(N(CC3CCCO3)C(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C22H22N2O3S/c1-26-18-11-9-16(10-12-18)20-15-28-22(23-20)24(14-19-8-5-13-27-19)21(25)17-6-3-2-4-7-17/h2-4,6-7,9-12,15,19H,5,8,13-14H2,1H3
InChIKeyCYYJCFMSSVQPCR-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.64
Rot. Bonds6

About N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 3170657) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID3170657
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide
SMILESCOc1ccc(-c2csc(N(CC3CCCO3)C(=O)c3ccccc3)n2)cc1
InChIInChI=1S/C22H22N2O3S/c1-26-18-11-9-16(10-12-18)20-15-28-22(23-20)24(14-19-8-5-13-27-19)21(25)17-6-3-2-4-7-17/h2-4,6-7,9-12,15,19H,5,8,13-14H2,1H3
InChIKeyCYYJCFMSSVQPCR-UHFFFAOYSA-N
XLogP4.64
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide 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-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide (CID 3170657) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide is COc1ccc(-c2csc(N(CC3CCCO3)C(=O)c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is CYYJCFMSSVQPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-26-18-11-9-16(10-12-18)20-15-28-22(23-20)24(14-19-8-5-13-27-19)21(25)17-6-3-2-4-7-17/h2-4,6-7,9-12,15,19H,5,8,13-14H2,1H3.
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 394.50 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 3170657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).