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

C24H27N5O2S — CID 95112891

IUPACN-[(1S)-1-(3-methoxyphenyl)ethyl]-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide
SMILESCOc1cccc([C@H](C)NC(=O)CN(C)c2nc3c(s2)c(C)nn3-c2cccc(C)c2)c1
InChIInChI=1S/C24H27N5O2S/c1-15-8-6-10-19(12-15)29-23-22(17(3)27-29)32-24(26-23)28(4)14-21(30)25-16(2)18-9-7-11-20(13-18)31-5/h6-13,16H,14H2,1-5H3,(H,25,30)/t16-/m0/s1
InChIKeyHHTHXDPEAWQYCY-INIZCTEOSA-N
MW449.58 g/mol
LogP4.42
Rot. Bonds7

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

N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide (PubChem CID 95112891) has the molecular formula C24H27N5O2S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide
PubChem CID95112891
Molecular FormulaC24H27N5O2S
Molecular Weight449.58 g/mol
Exact Mass449.19
IUPAC NameN-[(1S)-1-(3-methoxyphenyl)ethyl]-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide
SMILESCOc1cccc([C@H](C)NC(=O)CN(C)c2nc3c(s2)c(C)nn3-c2cccc(C)c2)c1
InChIInChI=1S/C24H27N5O2S/c1-15-8-6-10-19(12-15)29-23-22(17(3)27-29)32-24(26-23)28(4)14-21(30)25-16(2)18-9-7-11-20(13-18)31-5/h6-13,16H,14H2,1-5H3,(H,25,30)/t16-/m0/s1
InChIKeyHHTHXDPEAWQYCY-INIZCTEOSA-N
XLogP4.42
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 95112890
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
N-[1-(4-methoxyphenyl)ethyl]-2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]acetamide
CID 53195673
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-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-N-(2-methylpropyl)acetamide
CID 53195788
2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]-N-(3-methylbutyl)acetamide
CID 53195652
N-[(4-methoxyphenyl)methyl]-2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]acetamide
CID 53195758
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
2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 53195645
2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 53204274
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-[(3,4-dimethylphenyl)methyl]-2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]acetamide
CID 53195670

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide?
The IUPAC name of 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) is N-[(1S)-1-(3-methoxyphenyl)ethyl]-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-[(1S)-1-(3-methoxyphenyl)ethyl]-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide?
The canonical SMILES for N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide is COc1cccc([C@H](C)NC(=O)CN(C)c2nc3c(s2)c(C)nn3-c2cccc(C)c2)c1.
What is the InChIKey of N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide?
The InChIKey is HHTHXDPEAWQYCY-INIZCTEOSA-N. The full InChI is InChI=1S/C24H27N5O2S/c1-15-8-6-10-19(12-15)29-23-22(17(3)27-29)32-24(26-23)28(4)14-21(30)25-16(2)18-9-7-11-20(13-18)31-5/h6-13,16H,14H2,1-5H3,(H,25,30)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide?
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide has a molecular weight of 449.58 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-[methyl-[3-methyl-1-(3-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]acetamide is sourced from PubChem (CID 95112891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).