2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide

C21H20N6OS — CID 41357756

IUPAC2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
SMILESCc1ccc(-c2nc(C)sc2CC(=O)Nc2cccc(-c3nnnn3C)c2)cc1
InChIInChI=1S/C21H20N6OS/c1-13-7-9-15(10-8-13)20-18(29-14(2)22-20)12-19(28)23-17-6-4-5-16(11-17)21-24-25-26-27(21)3/h4-11H,12H2,1-3H3,(H,23,28)
InChIKeyVMVQEMVWASQXDY-UHFFFAOYSA-N
MW404.50 g/mol
LogP3.80
Rot. Bonds5

About 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide

2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide (PubChem CID 41357756) has the molecular formula C21H20N6OS and a molecular weight of 404.50 g/mol. Its IUPAC name is 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
PubChem CID41357756
Molecular FormulaC21H20N6OS
Molecular Weight404.50 g/mol
Exact Mass404.14
IUPAC Name2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
SMILESCc1ccc(-c2nc(C)sc2CC(=O)Nc2cccc(-c3nnnn3C)c2)cc1
InChIInChI=1S/C21H20N6OS/c1-13-7-9-15(10-8-13)20-18(29-14(2)22-20)12-19(28)23-17-6-4-5-16(11-17)21-24-25-26-27(21)3/h4-11H,12H2,1-3H3,(H,23,28)
InChIKeyVMVQEMVWASQXDY-UHFFFAOYSA-N
XLogP3.80
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-ethylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26736483
N-[3-(1-methyltetrazol-5-yl)phenyl]-2-thiophen-3-ylacetamide
CID 30414133
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-(3-nitrophenyl)acetamide
CID 26574704
2-(4-methylphenoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 26122709
3-amino-3-methyl-N-[3-(1-methyltetrazol-5-yl)phenyl]butanamide
CID 64684421
N-(3-fluoro-4-methylphenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26415642
N-(4-fluorophenyl)-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 26915494
N-[4-[[3-(1-methyltetrazol-5-yl)phenyl]carbamoylamino]phenyl]propanamide
CID 48783055
N-[3-(1,3-dithian-2-yl)phenyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 27842838
N-[4-(methylcarbamoylamino)phenyl]-2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 46603407
2-[(2-methylpropan-2-yl)oxy]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide
CID 115949897
2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788208

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide (CID 41357756) is 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide is Cc1ccc(-c2nc(C)sc2CC(=O)Nc2cccc(-c3nnnn3C)c2)cc1.
What is the InChIKey of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide?
The InChIKey is VMVQEMVWASQXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6OS/c1-13-7-9-15(10-8-13)20-18(29-14(2)22-20)12-19(28)23-17-6-4-5-16(11-17)21-24-25-26-27(21)3/h4-11H,12H2,1-3H3,(H,23,28).
What are the key properties of 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide?
2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide has a molecular weight of 404.50 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 41357756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).