1-(1-methylpyrazol-4-yl)-4-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one

C17H16N6O2S — CID 99818804

IUPAC1-(1-methylpyrazol-4-yl)-4-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one
SMILESCn1cc(N2CCN(C(=O)c3cnc(-c4ccncc4)s3)CC2=O)cn1
InChIInChI=1S/C17H16N6O2S/c1-21-10-13(8-20-21)23-7-6-22(11-15(23)24)17(25)14-9-19-16(26-14)12-2-4-18-5-3-12/h2-5,8-10H,6-7,11H2,1H3
InChIKeyYQZVGCWPBJVMKX-UHFFFAOYSA-N
MW368.42 g/mol
LogP1.43
Rot. Bonds3

About 1-(1-methylpyrazol-4-yl)-4-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one

1-(1-methylpyrazol-4-yl)-4-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one (PubChem CID 99818804) has the molecular formula C17H16N6O2S and a molecular weight of 368.42 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-4-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-4-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one
PubChem CID99818804
Molecular FormulaC17H16N6O2S
Molecular Weight368.42 g/mol
Exact Mass368.11
IUPAC Name1-(1-methylpyrazol-4-yl)-4-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one
SMILESCn1cc(N2CCN(C(=O)c3cnc(-c4ccncc4)s3)CC2=O)cn1
InChIInChI=1S/C17H16N6O2S/c1-21-10-13(8-20-21)23-7-6-22(11-15(23)24)17(25)14-9-19-16(26-14)12-2-4-18-5-3-12/h2-5,8-10H,6-7,11H2,1H3
InChIKeyYQZVGCWPBJVMKX-UHFFFAOYSA-N
XLogP1.43
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-4-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-4-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one (CID 99818804) is 1-(1-methylpyrazol-4-yl)-4-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-4-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-4-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one is Cn1cc(N2CCN(C(=O)c3cnc(-c4ccncc4)s3)CC2=O)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-4-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one?
The InChIKey is YQZVGCWPBJVMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2S/c1-21-10-13(8-20-21)23-7-6-22(11-15(23)24)17(25)14-9-19-16(26-14)12-2-4-18-5-3-12/h2-5,8-10H,6-7,11H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-4-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one?
1-(1-methylpyrazol-4-yl)-4-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one has a molecular weight of 368.42 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-4-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one is sourced from PubChem (CID 99818804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).