N-[2-(4-ethoxyphenyl)ethyl]-2-methyl-1,3-benzothiazole-5-carboxamide

C19H20N2O2S — CID 69472776

IUPACN-[2-(4-ethoxyphenyl)ethyl]-2-methyl-1,3-benzothiazole-5-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2ccc3sc(C)nc3c2)cc1
InChIInChI=1S/C19H20N2O2S/c1-3-23-16-7-4-14(5-8-16)10-11-20-19(22)15-6-9-18-17(12-15)21-13(2)24-18/h4-9,12H,3,10-11H2,1-2H3,(H,20,22)
InChIKeyVSOLMXNOAVNDDW-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.98
Rot. Bonds6

About N-[2-(4-ethoxyphenyl)ethyl]-2-methyl-1,3-benzothiazole-5-carboxamide

N-[2-(4-ethoxyphenyl)ethyl]-2-methyl-1,3-benzothiazole-5-carboxamide (PubChem CID 69472776) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)ethyl]-2-methyl-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)ethyl]-2-methyl-1,3-benzothiazole-5-carboxamide
PubChem CID69472776
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-[2-(4-ethoxyphenyl)ethyl]-2-methyl-1,3-benzothiazole-5-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2ccc3sc(C)nc3c2)cc1
InChIInChI=1S/C19H20N2O2S/c1-3-23-16-7-4-14(5-8-16)10-11-20-19(22)15-6-9-18-17(12-15)21-13(2)24-18/h4-9,12H,3,10-11H2,1-2H3,(H,20,22)
InChIKeyVSOLMXNOAVNDDW-UHFFFAOYSA-N
XLogP3.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-tert-butylphenyl)ethyl]-2-methyl-1,3-benzothiazole-5-carboxamide
CID 11544868
N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-5-carboxamide
CID 27089017
N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110788107
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-1,3-benzothiazole-6-carboxamide
CID 9292042
3-(dimethylamino)-N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110795352
3-[(4-ethoxyphenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 2373077
4-methoxy-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide
CID 55434098
4-benzyl-N-[2-(4-ethoxyphenyl)ethyl]-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 20876252
N-(2-hydroxyethyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 5210335
3-[[(3aS,6aR)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]-N-[2-(4-ethoxyphenyl)ethyl]-4-methylbenzamide
CID 41111211
N-[2-(4-methoxyphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692591
4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 7997659

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)ethyl]-2-methyl-1,3-benzothiazole-5-carboxamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)ethyl]-2-methyl-1,3-benzothiazole-5-carboxamide (CID 69472776) is N-[2-(4-ethoxyphenyl)ethyl]-2-methyl-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)ethyl]-2-methyl-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)ethyl]-2-methyl-1,3-benzothiazole-5-carboxamide is CCOc1ccc(CCNC(=O)c2ccc3sc(C)nc3c2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)ethyl]-2-methyl-1,3-benzothiazole-5-carboxamide?
The InChIKey is VSOLMXNOAVNDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-3-23-16-7-4-14(5-8-16)10-11-20-19(22)15-6-9-18-17(12-15)21-13(2)24-18/h4-9,12H,3,10-11H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(4-ethoxyphenyl)ethyl]-2-methyl-1,3-benzothiazole-5-carboxamide?
N-[2-(4-ethoxyphenyl)ethyl]-2-methyl-1,3-benzothiazole-5-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)ethyl]-2-methyl-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 69472776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).