(5S)-5-[[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]methyl]pyrrolidin-2-one

C11H15N5OS — CID 97285582

IUPAC(5S)-5-[[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]methyl]pyrrolidin-2-one
SMILESCc1nn(C)c2nc(NC[C@@H]3CCC(=O)N3)sc12
InChIInChI=1S/C11H15N5OS/c1-6-9-10(16(2)15-6)14-11(18-9)12-5-7-3-4-8(17)13-7/h7H,3-5H2,1-2H3,(H,12,14)(H,13,17)/t7-/m0/s1
InChIKeyAXNKKAQCCZIEET-ZETCQYMHSA-N
MW265.34 g/mol
LogP1.03
Rot. Bonds3

About (5S)-5-[[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]methyl]pyrrolidin-2-one

(5S)-5-[[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]methyl]pyrrolidin-2-one (PubChem CID 97285582) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is (5S)-5-[[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]methyl]pyrrolidin-2-one
PubChem CID97285582
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name(5S)-5-[[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]methyl]pyrrolidin-2-one
SMILESCc1nn(C)c2nc(NC[C@@H]3CCC(=O)N3)sc12
InChIInChI=1S/C11H15N5OS/c1-6-9-10(16(2)15-6)14-11(18-9)12-5-7-3-4-8(17)13-7/h7H,3-5H2,1-2H3,(H,12,14)(H,13,17)/t7-/m0/s1
InChIKeyAXNKKAQCCZIEET-ZETCQYMHSA-N
XLogP1.03
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]methyl]pyrrolidin-2-one (CID 97285582) is (5S)-5-[[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]methyl]pyrrolidin-2-one is Cc1nn(C)c2nc(NC[C@@H]3CCC(=O)N3)sc12.
What is the InChIKey of (5S)-5-[[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]methyl]pyrrolidin-2-one?
The InChIKey is AXNKKAQCCZIEET-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-6-9-10(16(2)15-6)14-11(18-9)12-5-7-3-4-8(17)13-7/h7H,3-5H2,1-2H3,(H,12,14)(H,13,17)/t7-/m0/s1.
What are the key properties of (5S)-5-[[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]methyl]pyrrolidin-2-one?
(5S)-5-[[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]methyl]pyrrolidin-2-one has a molecular weight of 265.34 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 97285582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).