[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone

C16H23N5OS — CID 56779735

IUPAC[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
SMILESCCc1nccn1C1CCCN(C(=O)c2c(C)nsc2NC)C1
InChIInChI=1S/C16H23N5OS/c1-4-13-18-7-9-21(13)12-6-5-8-20(10-12)16(22)14-11(2)19-23-15(14)17-3/h7,9,12,17H,4-6,8,10H2,1-3H3
InChIKeyAZNNGAWUVJSHBB-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.73
Rot. Bonds4

About [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone

[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone (PubChem CID 56779735) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone.

Molecular Properties

Compound Name[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
PubChem CID56779735
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone
SMILESCCc1nccn1C1CCCN(C(=O)c2c(C)nsc2NC)C1
InChIInChI=1S/C16H23N5OS/c1-4-13-18-7-9-21(13)12-6-5-8-20(10-12)16(22)14-11(2)19-23-15(14)17-3/h7,9,12,17H,4-6,8,10H2,1-3H3
InChIKeyAZNNGAWUVJSHBB-UHFFFAOYSA-N
XLogP2.73
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?
The IUPAC name of [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone (CID 56779735) is [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone.
What is the SMILES notation for [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?
The canonical SMILES for [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone is CCc1nccn1C1CCCN(C(=O)c2c(C)nsc2NC)C1.
What is the InChIKey of [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?
The InChIKey is AZNNGAWUVJSHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-4-13-18-7-9-21(13)12-6-5-8-20(10-12)16(22)14-11(2)19-23-15(14)17-3/h7,9,12,17H,4-6,8,10H2,1-3H3.
What are the key properties of [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone?
[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone has a molecular weight of 333.46 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethylimidazol-1-yl)piperidin-1-yl]-[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]methanone is sourced from PubChem (CID 56779735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).