1-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]imidazolidin-2-one

C16H21N5O2S — CID 56816839

IUPAC1-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]imidazolidin-2-one
SMILESCc1nn(C)c2sc(C(=O)N3CCC(N4CCNC4=O)CC3)cc12
InChIInChI=1S/C16H21N5O2S/c1-10-12-9-13(24-15(12)19(2)18-10)14(22)20-6-3-11(4-7-20)21-8-5-17-16(21)23/h9,11H,3-8H2,1-2H3,(H,17,23)
InChIKeyGXMVCKIQXRXKBD-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.57
Rot. Bonds2

About 1-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]imidazolidin-2-one

1-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]imidazolidin-2-one (PubChem CID 56816839) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]imidazolidin-2-one
PubChem CID56816839
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name1-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]imidazolidin-2-one
SMILESCc1nn(C)c2sc(C(=O)N3CCC(N4CCNC4=O)CC3)cc12
InChIInChI=1S/C16H21N5O2S/c1-10-12-9-13(24-15(12)19(2)18-10)14(22)20-6-3-11(4-7-20)21-8-5-17-16(21)23/h9,11H,3-8H2,1-2H3,(H,17,23)
InChIKeyGXMVCKIQXRXKBD-UHFFFAOYSA-N
XLogP1.57
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]imidazolidin-2-one (CID 56816839) is 1-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]imidazolidin-2-one is Cc1nn(C)c2sc(C(=O)N3CCC(N4CCNC4=O)CC3)cc12.
What is the InChIKey of 1-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]imidazolidin-2-one?
The InChIKey is GXMVCKIQXRXKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-10-12-9-13(24-15(12)19(2)18-10)14(22)20-6-3-11(4-7-20)21-8-5-17-16(21)23/h9,11H,3-8H2,1-2H3,(H,17,23).
What are the key properties of 1-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]imidazolidin-2-one?
1-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]imidazolidin-2-one has a molecular weight of 347.44 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 56816839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).