N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-ethoxybenzamide

C20H20N2O2S — CID 1220261

IUPACN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1nc(-c2ccc(C)cc2C)cs1
InChIInChI=1S/C20H20N2O2S/c1-4-24-18-8-6-5-7-16(18)19(23)22-20-21-17(12-25-20)15-10-9-13(2)11-14(15)3/h5-12H,4H2,1-3H3,(H,21,22,23)
InChIKeyXSHPCYHTTNBLQV-UHFFFAOYSA-N
MW352.46 g/mol
LogP5.08
Rot. Bonds5

About N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-ethoxybenzamide

N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-ethoxybenzamide (PubChem CID 1220261) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-ethoxybenzamide
PubChem CID1220261
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)Nc1nc(-c2ccc(C)cc2C)cs1
InChIInChI=1S/C20H20N2O2S/c1-4-24-18-8-6-5-7-16(18)19(23)22-20-21-17(12-25-20)15-10-9-13(2)11-14(15)3/h5-12H,4H2,1-3H3,(H,21,22,23)
InChIKeyXSHPCYHTTNBLQV-UHFFFAOYSA-N
XLogP5.08
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 ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 25259755
2-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 903690
2-[(2-ethoxybenzoyl)amino]-N-ethyl-1,3-thiazole-4-carboxamide
CID 16915665
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 735075
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
CID 112762053
2-(difluoromethylsulfanyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 112773082
2,6-dichloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4517277
2-(2,4-dichlorophenyl)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 5072505
2-(2,4-dimethylphenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide
CID 5239510
3-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 1358970
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide
CID 4111761
2,2-dichloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194831

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-ethoxybenzamide?
The IUPAC name of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-ethoxybenzamide (CID 1220261) is N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-ethoxybenzamide.
What is the SMILES notation for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-ethoxybenzamide?
The canonical SMILES for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)Nc1nc(-c2ccc(C)cc2C)cs1.
What is the InChIKey of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-ethoxybenzamide?
The InChIKey is XSHPCYHTTNBLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-4-24-18-8-6-5-7-16(18)19(23)22-20-21-17(12-25-20)15-10-9-13(2)11-14(15)3/h5-12H,4H2,1-3H3,(H,21,22,23).
What are the key properties of N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-ethoxybenzamide?
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-ethoxybenzamide has a molecular weight of 352.46 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-ethoxybenzamide is sourced from PubChem (CID 1220261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).