(4-ethylpyrimidin-5-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

C17H23N5OS — CID 56819383

IUPAC(4-ethylpyrimidin-5-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCCc1nc(CN2CCN(C(=O)c3cncnc3CC)CC2)cs1
InChIInChI=1S/C17H23N5OS/c1-3-15-14(9-18-12-19-15)17(23)22-7-5-21(6-8-22)10-13-11-24-16(4-2)20-13/h9,11-12H,3-8,10H2,1-2H3
InChIKeyGGPKNBTYYBVIPB-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.02
Rot. Bonds5

About (4-ethylpyrimidin-5-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

(4-ethylpyrimidin-5-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone (PubChem CID 56819383) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is (4-ethylpyrimidin-5-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylpyrimidin-5-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
PubChem CID56819383
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name(4-ethylpyrimidin-5-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
SMILESCCc1nc(CN2CCN(C(=O)c3cncnc3CC)CC2)cs1
InChIInChI=1S/C17H23N5OS/c1-3-15-14(9-18-12-19-15)17(23)22-7-5-21(6-8-22)10-13-11-24-16(4-2)20-13/h9,11-12H,3-8,10H2,1-2H3
InChIKeyGGPKNBTYYBVIPB-UHFFFAOYSA-N
XLogP2.02
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpyrimidin-5-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-ethylpyrimidin-5-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone (CID 56819383) is (4-ethylpyrimidin-5-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-ethylpyrimidin-5-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-ethylpyrimidin-5-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone is CCc1nc(CN2CCN(C(=O)c3cncnc3CC)CC2)cs1.
What is the InChIKey of (4-ethylpyrimidin-5-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is GGPKNBTYYBVIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-3-15-14(9-18-12-19-15)17(23)22-7-5-21(6-8-22)10-13-11-24-16(4-2)20-13/h9,11-12H,3-8,10H2,1-2H3.
What are the key properties of (4-ethylpyrimidin-5-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone?
(4-ethylpyrimidin-5-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 345.47 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpyrimidin-5-yl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 56819383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).