1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

C17H21N5OS — CID 56780306

IUPAC1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESCCc1nccn1C1CCCN(C(=O)Cc2cn3ccsc3n2)C1
InChIInChI=1S/C17H21N5OS/c1-2-15-18-5-7-22(15)14-4-3-6-20(12-14)16(23)10-13-11-21-8-9-24-17(21)19-13/h5,7-9,11,14H,2-4,6,10,12H2,1H3
InChIKeyDVJOOJJIKCVSNT-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.56
Rot. Bonds4

About 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone

1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (PubChem CID 56780306) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.

Molecular Properties

Compound Name1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
PubChem CID56780306
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
SMILESCCc1nccn1C1CCCN(C(=O)Cc2cn3ccsc3n2)C1
InChIInChI=1S/C17H21N5OS/c1-2-15-18-5-7-22(15)14-4-3-6-20(12-14)16(23)10-13-11-21-8-9-24-17(21)19-13/h5,7-9,11,14H,2-4,6,10,12H2,1H3
InChIKeyDVJOOJJIKCVSNT-UHFFFAOYSA-N
XLogP2.56
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The IUPAC name of 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone (CID 56780306) is 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone.
What is the SMILES notation for 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The canonical SMILES for 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is CCc1nccn1C1CCCN(C(=O)Cc2cn3ccsc3n2)C1.
What is the InChIKey of 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
The InChIKey is DVJOOJJIKCVSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-2-15-18-5-7-22(15)14-4-3-6-20(12-14)16(23)10-13-11-21-8-9-24-17(21)19-13/h5,7-9,11,14H,2-4,6,10,12H2,1H3.
What are the key properties of 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone?
1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone has a molecular weight of 343.46 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone is sourced from PubChem (CID 56780306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).