1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-methylamino]ethyl]piperidin-2-one

C14H21N5OS — CID 72860611

IUPAC1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-methylamino]ethyl]piperidin-2-one
SMILESCc1nn(C)c2nc(N(C)CCN3CCCCC3=O)sc12
InChIInChI=1S/C14H21N5OS/c1-10-12-13(18(3)16-10)15-14(21-12)17(2)8-9-19-7-5-4-6-11(19)20/h4-9H2,1-3H3
InChIKeySLYAYXHYZNDLQG-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.79
Rot. Bonds4

About 1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-methylamino]ethyl]piperidin-2-one

1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-methylamino]ethyl]piperidin-2-one (PubChem CID 72860611) has the molecular formula C14H21N5OS and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-methylamino]ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-methylamino]ethyl]piperidin-2-one
PubChem CID72860611
Molecular FormulaC14H21N5OS
Molecular Weight307.42 g/mol
Exact Mass307.15
IUPAC Name1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-methylamino]ethyl]piperidin-2-one
SMILESCc1nn(C)c2nc(N(C)CCN3CCCCC3=O)sc12
InChIInChI=1S/C14H21N5OS/c1-10-12-13(18(3)16-10)15-14(21-12)17(2)8-9-19-7-5-4-6-11(19)20/h4-9H2,1-3H3
InChIKeySLYAYXHYZNDLQG-UHFFFAOYSA-N
XLogP1.79
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-methylamino]ethyl]piperidin-2-one?
The IUPAC name of 1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-methylamino]ethyl]piperidin-2-one (CID 72860611) is 1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-methylamino]ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-methylamino]ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-methylamino]ethyl]piperidin-2-one is Cc1nn(C)c2nc(N(C)CCN3CCCCC3=O)sc12.
What is the InChIKey of 1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-methylamino]ethyl]piperidin-2-one?
The InChIKey is SLYAYXHYZNDLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5OS/c1-10-12-13(18(3)16-10)15-14(21-12)17(2)8-9-19-7-5-4-6-11(19)20/h4-9H2,1-3H3.
What are the key properties of 1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-methylamino]ethyl]piperidin-2-one?
1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-methylamino]ethyl]piperidin-2-one has a molecular weight of 307.42 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-methylamino]ethyl]piperidin-2-one is sourced from PubChem (CID 72860611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).