3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one

C15H23N5OS — CID 72851411

IUPAC3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCc1nn(C)c2nc(NCCC(=O)N3CCC(C)CC3)sc12
InChIInChI=1S/C15H23N5OS/c1-10-5-8-20(9-6-10)12(21)4-7-16-15-17-14-13(22-15)11(2)18-19(14)3/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyMOVMDIVTCAPFAN-UHFFFAOYSA-N
MW321.45 g/mol
LogP2.40
Rot. Bonds4

About 3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one

3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 72851411) has the molecular formula C15H23N5OS and a molecular weight of 321.45 g/mol. Its IUPAC name is 3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID72851411
Molecular FormulaC15H23N5OS
Molecular Weight321.45 g/mol
Exact Mass321.16
IUPAC Name3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCc1nn(C)c2nc(NCCC(=O)N3CCC(C)CC3)sc12
InChIInChI=1S/C15H23N5OS/c1-10-5-8-20(9-6-10)12(21)4-7-16-15-17-14-13(22-15)11(2)18-19(14)3/h10H,4-9H2,1-3H3,(H,16,17)
InChIKeyMOVMDIVTCAPFAN-UHFFFAOYSA-N
XLogP2.40
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one (CID 72851411) is 3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one is Cc1nn(C)c2nc(NCCC(=O)N3CCC(C)CC3)sc12.
What is the InChIKey of 3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is MOVMDIVTCAPFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5OS/c1-10-5-8-20(9-6-10)12(21)4-7-16-15-17-14-13(22-15)11(2)18-19(14)3/h10H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one?
3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 321.45 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 72851411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).