[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone

C17H20N4O2S — CID 16670579

IUPAC[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
SMILESO=C(c1nccs1)C1CCN(C(=O)c2n[nH]c3c2CCCC3)CC1
InChIInChI=1S/C17H20N4O2S/c22-15(16-18-7-10-24-16)11-5-8-21(9-6-11)17(23)14-12-3-1-2-4-13(12)19-20-14/h7,10-11H,1-6,8-9H2,(H,19,20)
InChIKeyVDGQLXIJXYASHX-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.48
Rot. Bonds3

About [1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone

[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone (PubChem CID 16670579) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is [1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
PubChem CID16670579
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
SMILESO=C(c1nccs1)C1CCN(C(=O)c2n[nH]c3c2CCCC3)CC1
InChIInChI=1S/C17H20N4O2S/c22-15(16-18-7-10-24-16)11-5-8-21(9-6-11)17(23)14-12-3-1-2-4-13(12)19-20-14/h7,10-11H,1-6,8-9H2,(H,19,20)
InChIKeyVDGQLXIJXYASHX-UHFFFAOYSA-N
XLogP2.48
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone?
The IUPAC name of [1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone (CID 16670579) is [1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for [1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone is O=C(c1nccs1)C1CCN(C(=O)c2n[nH]c3c2CCCC3)CC1.
What is the InChIKey of [1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone?
The InChIKey is VDGQLXIJXYASHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c22-15(16-18-7-10-24-16)11-5-8-21(9-6-11)17(23)14-12-3-1-2-4-13(12)19-20-14/h7,10-11H,1-6,8-9H2,(H,19,20).
What are the key properties of [1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone?
[1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone has a molecular weight of 344.44 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-4-yl]-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 16670579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).