N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide

C23H23N5O3S — CID 53195813

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide
SMILESCc1cccc(-n2nc(C)c3sc(N(C)CC(=O)NCc4ccc5c(c4)OCO5)nc32)c1
InChIInChI=1S/C23H23N5O3S/c1-14-5-4-6-17(9-14)28-22-21(15(2)26-28)32-23(25-22)27(3)12-20(29)24-11-16-7-8-18-19(10-16)31-13-30-18/h4-10H,11-13H2,1-3H3,(H,24,29)
InChIKeyLHTMTYAGPFBXGY-UHFFFAOYSA-N
MW449.54 g/mol
LogP3.58
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide (PubChem CID 53195813) has the molecular formula C23H23N5O3S and a molecular weight of 449.54 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide
PubChem CID53195813
Molecular FormulaC23H23N5O3S
Molecular Weight449.54 g/mol
Exact Mass449.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide
SMILESCc1cccc(-n2nc(C)c3sc(N(C)CC(=O)NCc4ccc5c(c4)OCO5)nc32)c1
InChIInChI=1S/C23H23N5O3S/c1-14-5-4-6-17(9-14)28-22-21(15(2)26-28)32-23(25-22)27(3)12-20(29)24-11-16-7-8-18-19(10-16)31-13-30-18/h4-10H,11-13H2,1-3H3,(H,24,29)
InChIKeyLHTMTYAGPFBXGY-UHFFFAOYSA-N
XLogP3.58
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.54
LogP ≤ 53.58
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
N-[(3,4-dimethylphenyl)methyl]-2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]acetamide
CID 53195670
2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 53195827
2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(2-methylphenyl)methyl]acetamide
CID 53195746
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide
CID 95112888
2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 53041259
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide
CID 95112891
2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-N-(2-methylpropyl)acetamide
CID 53195788
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-(1,3-benzodioxol-5-ylmethyl)-2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]acetamide
CID 110329647
N-(1,3-benzodioxol-5-ylmethyl)-3-[7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-6-oxopyrazolo[5,4-b]pyridin-5-yl]propanamide
CID 20961331
2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 53204274

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide (CID 53195813) is N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide is Cc1cccc(-n2nc(C)c3sc(N(C)CC(=O)NCc4ccc5c(c4)OCO5)nc32)c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide?
The InChIKey is LHTMTYAGPFBXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3S/c1-14-5-4-6-17(9-14)28-22-21(15(2)26-28)32-23(25-22)27(3)12-20(29)24-11-16-7-8-18-19(10-16)31-13-30-18/h4-10H,11-13H2,1-3H3,(H,24,29).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide has a molecular weight of 449.54 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide is sourced from PubChem (CID 53195813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).