4-(1-methylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole

C12H16N4S — CID 55084668

IUPAC4-(1-methylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole
SMILESCn1cc(-c2csc(C3CCNCC3)n2)cn1
InChIInChI=1S/C12H16N4S/c1-16-7-10(6-14-16)11-8-17-12(15-11)9-2-4-13-5-3-9/h6-9,13H,2-5H2,1H3
InChIKeyGPTUIRQLWOEIQI-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.01
Rot. Bonds2

About 4-(1-methylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole

4-(1-methylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole (PubChem CID 55084668) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole
PubChem CID55084668
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name4-(1-methylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole
SMILESCn1cc(-c2csc(C3CCNCC3)n2)cn1
InChIInChI=1S/C12H16N4S/c1-16-7-10(6-14-16)11-8-17-12(15-11)9-2-4-13-5-3-9/h6-9,13H,2-5H2,1H3
InChIKeyGPTUIRQLWOEIQI-UHFFFAOYSA-N
XLogP2.01
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole (CID 55084668) is 4-(1-methylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole is Cn1cc(-c2csc(C3CCNCC3)n2)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole?
The InChIKey is GPTUIRQLWOEIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-16-7-10(6-14-16)11-8-17-12(15-11)9-2-4-13-5-3-9/h6-9,13H,2-5H2,1H3.
What are the key properties of 4-(1-methylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole?
4-(1-methylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole has a molecular weight of 248.35 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-2-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 55084668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).