1-[4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone

C14H19N5OS — CID 56814491

IUPAC1-[4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2csc(-c3cnn(C)c3)n2)CC1
InChIInChI=1S/C14H19N5OS/c1-11(20)19-5-3-18(4-6-19)9-13-10-21-14(16-13)12-7-15-17(2)8-12/h7-8,10H,3-6,9H2,1-2H3
InChIKeyVEKMQQCNIUTMLA-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.21
Rot. Bonds3

About 1-[4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone

1-[4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 56814491) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 1-[4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
PubChem CID56814491
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name1-[4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2csc(-c3cnn(C)c3)n2)CC1
InChIInChI=1S/C14H19N5OS/c1-11(20)19-5-3-18(4-6-19)9-13-10-21-14(16-13)12-7-15-17(2)8-12/h7-8,10H,3-6,9H2,1-2H3
InChIKeyVEKMQQCNIUTMLA-UHFFFAOYSA-N
XLogP1.21
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone (CID 56814491) is 1-[4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2csc(-c3cnn(C)c3)n2)CC1.
What is the InChIKey of 1-[4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is VEKMQQCNIUTMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-11(20)19-5-3-18(4-6-19)9-13-10-21-14(16-13)12-7-15-17(2)8-12/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 1-[4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone?
1-[4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 305.41 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 56814491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).