[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone

C16H23N5OS — CID 50745194

IUPAC[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2sc(-n3nc(C)cc3C)nc2C)CC1
InChIInChI=1S/C16H23N5OS/c1-5-19-6-8-20(9-7-19)15(22)14-13(4)17-16(23-14)21-12(3)10-11(2)18-21/h10H,5-9H2,1-4H3
InChIKeyJNCFAZUGGLKJFQ-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.03
Rot. Bonds3

About [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone

[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone (PubChem CID 50745194) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
PubChem CID50745194
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
SMILESCCN1CCN(C(=O)c2sc(-n3nc(C)cc3C)nc2C)CC1
InChIInChI=1S/C16H23N5OS/c1-5-19-6-8-20(9-7-19)15(22)14-13(4)17-16(23-14)21-12(3)10-11(2)18-21/h10H,5-9H2,1-4H3
InChIKeyJNCFAZUGGLKJFQ-UHFFFAOYSA-N
XLogP2.03
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone?
The IUPAC name of [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone (CID 50745194) is [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone is CCN1CCN(C(=O)c2sc(-n3nc(C)cc3C)nc2C)CC1.
What is the InChIKey of [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone?
The InChIKey is JNCFAZUGGLKJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-5-19-6-8-20(9-7-19)15(22)14-13(4)17-16(23-14)21-12(3)10-11(2)18-21/h10H,5-9H2,1-4H3.
What are the key properties of [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone?
[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone has a molecular weight of 333.46 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-(4-ethylpiperazin-1-yl)methanone is sourced from PubChem (CID 50745194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).