3-methoxy-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide

C20H20N2O2S — CID 21358404

IUPAC3-methoxy-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2cccc(-c3csc(C(C)C)n3)c2)c1
InChIInChI=1S/C20H20N2O2S/c1-13(2)20-22-18(12-25-20)14-6-4-8-16(10-14)21-19(23)15-7-5-9-17(11-15)24-3/h4-13H,1-3H3,(H,21,23)
InChIKeyKHHRUACRPUGVFU-UHFFFAOYSA-N
MW352.46 g/mol
LogP5.19
Rot. Bonds5

About 3-methoxy-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide

3-methoxy-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 21358404) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 3-methoxy-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID21358404
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name3-methoxy-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2cccc(-c3csc(C(C)C)n3)c2)c1
InChIInChI=1S/C20H20N2O2S/c1-13(2)20-22-18(12-25-20)14-6-4-8-16(10-14)21-19(23)15-7-5-9-17(11-15)24-3/h4-13H,1-3H3,(H,21,23)
InChIKeyKHHRUACRPUGVFU-UHFFFAOYSA-N
XLogP5.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.46
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

3-methoxy-N-[3-[1-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 18899575
3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 737892
3-methoxy-N-(3-phenylphenyl)benzamide
CID 798645
N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 42765523
N-[3-(4-benzamido-1,3-thiazol-2-yl)phenyl]-3-methoxybenzamide
CID 171982252
3-(2-propan-2-yl-1,3-thiazol-4-yl)benzoic acid
CID 55165398
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 19196276
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 734137
3-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 18096314
2,4-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide;ethane
CID 143409150
N-[3-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-3,5-dimethoxybenzamide
CID 42764822
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide (CID 21358404) is 3-methoxy-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide is COc1cccc(C(=O)Nc2cccc(-c3csc(C(C)C)n3)c2)c1.
What is the InChIKey of 3-methoxy-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is KHHRUACRPUGVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-13(2)20-22-18(12-25-20)14-6-4-8-16(10-14)21-19(23)15-7-5-9-17(11-15)24-3/h4-13H,1-3H3,(H,21,23).
What are the key properties of 3-methoxy-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide?
3-methoxy-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 352.46 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-(2-propan-2-yl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 21358404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).