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

C17H20N6OS — CID 70732525

IUPAC(1-methylpyrazol-3-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCn1ccc(C(=O)N2CCC(c3nccn3Cc3cscn3)CC2)n1
InChIInChI=1S/C17H20N6OS/c1-21-6-4-15(20-21)17(24)22-7-2-13(3-8-22)16-18-5-9-23(16)10-14-11-25-12-19-14/h4-6,9,11-13H,2-3,7-8,10H2,1H3
InChIKeyGQPJTIHOOKCKET-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.14
Rot. Bonds4

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

(1-methylpyrazol-3-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 70732525) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID70732525
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name(1-methylpyrazol-3-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCn1ccc(C(=O)N2CCC(c3nccn3Cc3cscn3)CC2)n1
InChIInChI=1S/C17H20N6OS/c1-21-6-4-15(20-21)17(24)22-7-2-13(3-8-22)16-18-5-9-23(16)10-14-11-25-12-19-14/h4-6,9,11-13H,2-3,7-8,10H2,1H3
InChIKeyGQPJTIHOOKCKET-UHFFFAOYSA-N
XLogP2.14
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-3-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 70732525) is (1-methylpyrazol-3-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is Cn1ccc(C(=O)N2CCC(c3nccn3Cc3cscn3)CC2)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is GQPJTIHOOKCKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-21-6-4-15(20-21)17(24)22-7-2-13(3-8-22)16-18-5-9-23(16)10-14-11-25-12-19-14/h4-6,9,11-13H,2-3,7-8,10H2,1H3.
What are the key properties of (1-methylpyrazol-3-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(1-methylpyrazol-3-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 356.46 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 70732525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).