2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]-N-(pyridin-2-ylmethyl)acetamide

C21H22N6O2S — CID 53204274

IUPAC2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCOc1ccc(-n2nc(C)c3sc(N(C)CC(=O)NCc4ccccn4)nc32)cc1
InChIInChI=1S/C21H22N6O2S/c1-14-19-20(27(25-14)16-7-9-17(29-3)10-8-16)24-21(30-19)26(2)13-18(28)23-12-15-6-4-5-11-22-15/h4-11H,12-13H2,1-3H3,(H,23,28)
InChIKeyQDUYSBIUXXERHO-UHFFFAOYSA-N
MW422.51 g/mol
LogP2.95
Rot. Bonds7

About 2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]-N-(pyridin-2-ylmethyl)acetamide

2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 53204274) has the molecular formula C21H22N6O2S and a molecular weight of 422.51 g/mol. Its IUPAC name is 2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID53204274
Molecular FormulaC21H22N6O2S
Molecular Weight422.51 g/mol
Exact Mass422.15
IUPAC Name2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCOc1ccc(-n2nc(C)c3sc(N(C)CC(=O)NCc4ccccn4)nc32)cc1
InChIInChI=1S/C21H22N6O2S/c1-14-19-20(27(25-14)16-7-9-17(29-3)10-8-16)24-21(30-19)26(2)13-18(28)23-12-15-6-4-5-11-22-15/h4-11H,12-13H2,1-3H3,(H,23,28)
InChIKeyQDUYSBIUXXERHO-UHFFFAOYSA-N
XLogP2.95
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]acetamide
CID 53195758
2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-(pyridin-2-ylmethyl)acetamide
CID 53204283
2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 53195645
N-[(3,4-dimethylphenyl)methyl]-2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]acetamide
CID 53195670
2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]-N-(3-methylbutyl)acetamide
CID 53195652
N-[(2,5-dimethoxyphenyl)methyl]-2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide
CID 53195743
N-[1-(4-methoxyphenyl)ethyl]-2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]acetamide
CID 53195673
2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 53195679
2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 53041259
2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-N-(2-methylpropyl)acetamide
CID 53195788
N-[(4-bromophenyl)methyl]-2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide
CID 53195724
N-[(3-bromophenyl)methyl]-2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide
CID 53195745

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]-N-(pyridin-2-ylmethyl)acetamide (CID 53204274) is 2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]-N-(pyridin-2-ylmethyl)acetamide is COc1ccc(-n2nc(C)c3sc(N(C)CC(=O)NCc4ccccn4)nc32)cc1.
What is the InChIKey of 2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is QDUYSBIUXXERHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2S/c1-14-19-20(27(25-14)16-7-9-17(29-3)10-8-16)24-21(30-19)26(2)13-18(28)23-12-15-6-4-5-11-22-15/h4-11H,12-13H2,1-3H3,(H,23,28).
What are the key properties of 2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]-N-(pyridin-2-ylmethyl)acetamide?
2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 422.51 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 53204274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).