N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide

C21H33N5OS — CID 31016301

IUPACN-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C21H33N5OS/c1-3-24(20(27)14-18-16-26-12-13-28-21(26)22-18)15-17-4-10-25(11-5-17)19-6-8-23(2)9-7-19/h12-13,16-17,19H,3-11,14-15H2,1-2H3
InChIKeyKUIGPPJYHRWSEB-UHFFFAOYSA-N
MW403.60 g/mol
LogP2.59
Rot. Bonds6

About N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide

N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide (PubChem CID 31016301) has the molecular formula C21H33N5OS and a molecular weight of 403.60 g/mol. Its IUPAC name is N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide
PubChem CID31016301
Molecular FormulaC21H33N5OS
Molecular Weight403.60 g/mol
Exact Mass403.24
IUPAC NameN-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C21H33N5OS/c1-3-24(20(27)14-18-16-26-12-13-28-21(26)22-18)15-17-4-10-25(11-5-17)19-6-8-23(2)9-7-19/h12-13,16-17,19H,3-11,14-15H2,1-2H3
InChIKeyKUIGPPJYHRWSEB-UHFFFAOYSA-N
XLogP2.59
TPSA44.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.60
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[ethyl-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]acetate
CID 61012930
1-(3-ethylcyclopentyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 113289131
N-[(2-hydroxycyclohexyl)methyl]-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-methylacetamide
CID 110003774
1-(4-aminocyclohexyl)-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 116557487
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120997345
2-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 80576870
1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 95311567
3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
CID 115792010
N-(2-hydroxyethyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 103915385
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129370420
N-benzyl-N-cyclopropyl-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 38252253
methyl 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-methylamino]acetate
CID 43408802

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide (CID 31016301) is N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide is CCN(CC1CCN(C2CCN(C)CC2)CC1)C(=O)Cc1cn2ccsc2n1.
What is the InChIKey of N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide?
The InChIKey is KUIGPPJYHRWSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5OS/c1-3-24(20(27)14-18-16-26-12-13-28-21(26)22-18)15-17-4-10-25(11-5-17)19-6-8-23(2)9-7-19/h12-13,16-17,19H,3-11,14-15H2,1-2H3.
What are the key properties of N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide?
N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide has a molecular weight of 403.60 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 31016301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).