2-(3,4-dimethoxyphenyl)-N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide

C22H22N6O3S — CID 11597583

IUPAC2-(3,4-dimethoxyphenyl)-N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
SMILESCCn1nnc(-c2sc(NC(=O)Cc3ccc(OC)c(OC)c3)nc2-c2ccccc2)n1
InChIInChI=1S/C22H22N6O3S/c1-4-28-26-21(25-27-28)20-19(15-8-6-5-7-9-15)24-22(32-20)23-18(29)13-14-10-11-16(30-2)17(12-14)31-3/h5-12H,4,13H2,1-3H3,(H,23,24,29)
InChIKeySZZOCASQZRDVMZ-UHFFFAOYSA-N
MW450.52 g/mol
LogP3.68
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide

2-(3,4-dimethoxyphenyl)-N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide (PubChem CID 11597583) has the molecular formula C22H22N6O3S and a molecular weight of 450.52 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
PubChem CID11597583
Molecular FormulaC22H22N6O3S
Molecular Weight450.52 g/mol
Exact Mass450.15
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
SMILESCCn1nnc(-c2sc(NC(=O)Cc3ccc(OC)c(OC)c3)nc2-c2ccccc2)n1
InChIInChI=1S/C22H22N6O3S/c1-4-28-26-21(25-27-28)20-19(15-8-6-5-7-9-15)24-22(32-20)23-18(29)13-14-10-11-16(30-2)17(12-14)31-3/h5-12H,4,13H2,1-3H3,(H,23,24,29)
InChIKeySZZOCASQZRDVMZ-UHFFFAOYSA-N
XLogP3.68
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2089709
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2550621
2-(3-methoxyphenyl)-N-(4-(4-methoxyphenyl)-5-methylthiazol-2-yl)acetamide
CID 2671554
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 3465128
N-{2-[2-(4-Methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,2-B][1,3]thiazol-5-YL]ethyl}-2-phenylacetamide
CID 7287094
3,4,5-Trimethoxy-N-{2-[2-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,2-B][1,3]thiazol-5-YL]ethyl}benzamide
CID 16032773
1-(1,3-benzodioxol-5-yl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 58609876
2-(4-Methoxyphenyl)-N-{2-[2-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,2-B][1,3]thiazol-5-YL]ethyl}acetamide
CID 16032647
2-(4-Ethoxyphenyl)-N-{2-[2-(4-methoxyphenyl)-6-methyl-[1,2,4]triazolo[3,2-B][1,3]thiazol-5-YL]ethyl}acetamide
CID 16032791
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 2102472
2-(3,4-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 2102663
2-(3,4-dimethoxyphenyl)-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 2548229

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide (CID 11597583) is 2-(3,4-dimethoxyphenyl)-N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide is CCn1nnc(-c2sc(NC(=O)Cc3ccc(OC)c(OC)c3)nc2-c2ccccc2)n1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is SZZOCASQZRDVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3S/c1-4-28-26-21(25-27-28)20-19(15-8-6-5-7-9-15)24-22(32-20)23-18(29)13-14-10-11-16(30-2)17(12-14)31-3/h5-12H,4,13H2,1-3H3,(H,23,24,29).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 450.52 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 11597583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).