2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(4R)-4-methylazepan-1-yl]ethanone

C14H19N3OS — CID 95591217

IUPAC2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(4R)-4-methylazepan-1-yl]ethanone
SMILESC[C@@H]1CCCN(C(=O)Cc2cn3ccsc3n2)CC1
InChIInChI=1S/C14H19N3OS/c1-11-3-2-5-16(6-4-11)13(18)9-12-10-17-7-8-19-14(17)15-12/h7-8,10-11H,2-6,9H2,1H3/t11-/m1/s1
InChIKeySZDRHMOXJWYGRG-LLVKDONJSA-N
MW277.39 g/mol
LogP2.59
Rot. Bonds2

About 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(4R)-4-methylazepan-1-yl]ethanone

2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(4R)-4-methylazepan-1-yl]ethanone (PubChem CID 95591217) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(4R)-4-methylazepan-1-yl]ethanone.

Molecular Properties

Compound Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(4R)-4-methylazepan-1-yl]ethanone
PubChem CID95591217
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(4R)-4-methylazepan-1-yl]ethanone
SMILESC[C@@H]1CCCN(C(=O)Cc2cn3ccsc3n2)CC1
InChIInChI=1S/C14H19N3OS/c1-11-3-2-5-16(6-4-11)13(18)9-12-10-17-7-8-19-14(17)15-12/h7-8,10-11H,2-6,9H2,1H3/t11-/m1/s1
InChIKeySZDRHMOXJWYGRG-LLVKDONJSA-N
XLogP2.59
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)piperidine-3-carboxylic acid
CID 81118544
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 74238119
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]ethanone
CID 95279097
1-[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 56914148
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129370420
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]ethanone
CID 95289056
(2S)-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxylic acid
CID 61136837
1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 95750560
1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 95311567
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120997345
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 94812709
1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146621

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(4R)-4-methylazepan-1-yl]ethanone?
The IUPAC name of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(4R)-4-methylazepan-1-yl]ethanone (CID 95591217) is 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(4R)-4-methylazepan-1-yl]ethanone.
What is the SMILES notation for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(4R)-4-methylazepan-1-yl]ethanone?
The canonical SMILES for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(4R)-4-methylazepan-1-yl]ethanone is C[C@@H]1CCCN(C(=O)Cc2cn3ccsc3n2)CC1.
What is the InChIKey of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(4R)-4-methylazepan-1-yl]ethanone?
The InChIKey is SZDRHMOXJWYGRG-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-11-3-2-5-16(6-4-11)13(18)9-12-10-17-7-8-19-14(17)15-12/h7-8,10-11H,2-6,9H2,1H3/t11-/m1/s1.
What are the key properties of 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(4R)-4-methylazepan-1-yl]ethanone?
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(4R)-4-methylazepan-1-yl]ethanone has a molecular weight of 277.39 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[2,1-b][1,3]thiazol-6-yl-1-[(4R)-4-methylazepan-1-yl]ethanone is sourced from PubChem (CID 95591217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).