2-(2-methylimidazol-1-yl)-1-[4-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone

C15H21N5OS — CID 164637168

IUPAC2-(2-methylimidazol-1-yl)-1-[4-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone
SMILESCc1nccn1CC(=O)N1CCN([C@@H](C)c2nccs2)CC1
InChIInChI=1S/C15H21N5OS/c1-12(15-17-4-10-22-15)18-6-8-19(9-7-18)14(21)11-20-5-3-16-13(20)2/h3-5,10,12H,6-9,11H2,1-2H3/t12-/m0/s1
InChIKeyMJEVYZQRFFIANO-LBPRGKRZSA-N
MW319.43 g/mol
LogP1.55
Rot. Bonds4

About 2-(2-methylimidazol-1-yl)-1-[4-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone

2-(2-methylimidazol-1-yl)-1-[4-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone (PubChem CID 164637168) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-1-[4-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-1-[4-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone
PubChem CID164637168
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC Name2-(2-methylimidazol-1-yl)-1-[4-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone
SMILESCc1nccn1CC(=O)N1CCN([C@@H](C)c2nccs2)CC1
InChIInChI=1S/C15H21N5OS/c1-12(15-17-4-10-22-15)18-6-8-19(9-7-18)14(21)11-20-5-3-16-13(20)2/h3-5,10,12H,6-9,11H2,1-2H3/t12-/m0/s1
InChIKeyMJEVYZQRFFIANO-LBPRGKRZSA-N
XLogP1.55
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-Ethyl-5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 45805759
3-Propyl-5-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 45805948
2-[3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 53568872
1-[3-(2-Ethylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 56779756
1-(3-Imidazol-1-ylpiperidin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one
CID 56824865
1-[[1-(2-Methylpropyl)imidazol-2-yl]methyl]-3-[1-(1,3-thiazol-2-yl)ethyl]urea
CID 71869888
1-[[1-(2-Methylpropyl)imidazol-2-yl]methyl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
CID 71925639
3-tert-butyl-5-[(1S)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 31419189
N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 75432137
N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 75500264
N-[(1-propyl-1H-imidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine
CID 77084707
1-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 95612447

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-1-[4-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-methylimidazol-1-yl)-1-[4-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone (CID 164637168) is 2-(2-methylimidazol-1-yl)-1-[4-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-1-[4-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-1-[4-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone is Cc1nccn1CC(=O)N1CCN([C@@H](C)c2nccs2)CC1.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-1-[4-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone?
The InChIKey is MJEVYZQRFFIANO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-12(15-17-4-10-22-15)18-6-8-19(9-7-18)14(21)11-20-5-3-16-13(20)2/h3-5,10,12H,6-9,11H2,1-2H3/t12-/m0/s1.
What are the key properties of 2-(2-methylimidazol-1-yl)-1-[4-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone?
2-(2-methylimidazol-1-yl)-1-[4-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone has a molecular weight of 319.43 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-1-[4-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 164637168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).