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

C20H25N5O2S — CID 95112854

IUPAC2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCc1ccc(-n2nc(C)c3sc(N(C)CC(=O)NC[C@H]4CCCO4)nc32)cc1
InChIInChI=1S/C20H25N5O2S/c1-13-6-8-15(9-7-13)25-19-18(14(2)23-25)28-20(22-19)24(3)12-17(26)21-11-16-5-4-10-27-16/h6-9,16H,4-5,10-12H2,1-3H3,(H,21,26)/t16-/m1/s1
InChIKeyJLNGQNMLVIVKFA-MRXNPFEDSA-N
MW399.52 g/mol
LogP2.83
Rot. Bonds6

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

2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (PubChem CID 95112854) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is 2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
PubChem CID95112854
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC Name2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
SMILESCc1ccc(-n2nc(C)c3sc(N(C)CC(=O)NC[C@H]4CCCO4)nc32)cc1
InChIInChI=1S/C20H25N5O2S/c1-13-6-8-15(9-7-13)25-19-18(14(2)23-25)28-20(22-19)24(3)12-17(26)21-11-16-5-4-10-27-16/h6-9,16H,4-5,10-12H2,1-3H3,(H,21,26)/t16-/m1/s1
InChIKeyJLNGQNMLVIVKFA-MRXNPFEDSA-N
XLogP2.83
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[(2-methylphenyl)methyl]acetamide
CID 53195746
2-[methyl-(3-methyl-1-phenylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-N-(2-methylpropyl)acetamide
CID 53195788
2-[(4-fluoro-1,3-benzothiazol-2-yl)-methylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 90605772
3-[6-methoxy-3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94079737
2-[[1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d][1,3]thiazol-5-yl]-methylamino]-N-(3-methylbutyl)acetamide
CID 53195652
4-[5-acetamido-3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92873032
2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7080935
1-(4-methoxyphenyl)-3,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 83285028
2-[[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 95057079
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 44762278
1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-3,5-dipropylpyrazole-4-carboxamide
CID 42818108
2-[methyl-[(4-methylthiadiazol-5-yl)methyl]amino]-N-(oxolan-2-ylmethyl)acetamide
CID 91843147

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide (CID 95112854) is 2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is Cc1ccc(-n2nc(C)c3sc(N(C)CC(=O)NC[C@H]4CCCO4)nc32)cc1.
What is the InChIKey of 2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
The InChIKey is JLNGQNMLVIVKFA-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-13-6-8-15(9-7-13)25-19-18(14(2)23-25)28-20(22-19)24(3)12-17(26)21-11-16-5-4-10-27-16/h6-9,16H,4-5,10-12H2,1-3H3,(H,21,26)/t16-/m1/s1.
What are the key properties of 2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide?
2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide has a molecular weight of 399.52 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d][1,3]thiazol-5-yl]amino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 95112854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).