[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone

C17H20N6OS — CID 127339893

IUPAC[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
SMILESCn1cc(-c2ncc(C(=O)N3CCC(c4ccnn4C)CC3)s2)cn1
InChIInChI=1S/C17H20N6OS/c1-21-11-13(9-20-21)16-18-10-15(25-16)17(24)23-7-4-12(5-8-23)14-3-6-19-22(14)2/h3,6,9-12H,4-5,7-8H2,1-2H3
InChIKeyHSAXQMZQHWQUBF-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.30
Rot. Bonds3

About [4-(2-methylpyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone

[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone (PubChem CID 127339893) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is [4-(2-methylpyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
PubChem CID127339893
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone
SMILESCn1cc(-c2ncc(C(=O)N3CCC(c4ccnn4C)CC3)s2)cn1
InChIInChI=1S/C17H20N6OS/c1-21-11-13(9-20-21)16-18-10-15(25-16)17(24)23-7-4-12(5-8-23)14-3-6-19-22(14)2/h3,6,9-12H,4-5,7-8H2,1-2H3
InChIKeyHSAXQMZQHWQUBF-UHFFFAOYSA-N
XLogP2.30
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of [4-(2-methylpyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone (CID 127339893) is [4-(2-methylpyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for [4-(2-methylpyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for [4-(2-methylpyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone is Cn1cc(-c2ncc(C(=O)N3CCC(c4ccnn4C)CC3)s2)cn1.
What is the InChIKey of [4-(2-methylpyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone?
The InChIKey is HSAXQMZQHWQUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-21-11-13(9-20-21)16-18-10-15(25-16)17(24)23-7-4-12(5-8-23)14-3-6-19-22(14)2/h3,6,9-12H,4-5,7-8H2,1-2H3.
What are the key properties of [4-(2-methylpyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone?
[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone has a molecular weight of 356.46 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpyrazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 127339893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).