[5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone

C23H29N5OS — CID 124758325

IUPAC[5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
SMILESCN1CCN(Cc2c(C(=O)N3CCCCC3)nc3sccn23)C[C@H]1c1ccccc1
InChIInChI=1S/C23H29N5OS/c1-25-12-13-26(16-19(25)18-8-4-2-5-9-18)17-20-21(24-23-28(20)14-15-30-23)22(29)27-10-6-3-7-11-27/h2,4-5,8-9,14-15,19H,3,6-7,10-13,16-17H2,1H3/t19-/m0/s1
InChIKeyYIGBHCPNGVUMGI-IBGZPJMESA-N
MW423.59 g/mol
LogP3.51
Rot. Bonds4

About [5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone

[5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone (PubChem CID 124758325) has the molecular formula C23H29N5OS and a molecular weight of 423.59 g/mol. Its IUPAC name is [5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
PubChem CID124758325
Molecular FormulaC23H29N5OS
Molecular Weight423.59 g/mol
Exact Mass423.21
IUPAC Name[5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
SMILESCN1CCN(Cc2c(C(=O)N3CCCCC3)nc3sccn23)C[C@H]1c1ccccc1
InChIInChI=1S/C23H29N5OS/c1-25-12-13-26(16-19(25)18-8-4-2-5-9-18)17-20-21(24-23-28(20)14-15-30-23)22(29)27-10-6-3-7-11-27/h2,4-5,8-9,14-15,19H,3,6-7,10-13,16-17H2,1H3/t19-/m0/s1
InChIKeyYIGBHCPNGVUMGI-IBGZPJMESA-N
XLogP3.51
TPSA44.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.59
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[[3-(2-chlorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
CID 45178972
azocan-1-yl-[5-[[(3S)-3-hydroxypiperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 42291044
[5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone
CID 45182768
[5-[(3-hydroxypiperidin-1-yl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
CID 56878530
piperidin-1-yl-[5-(thiomorpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 31005446
azocan-1-yl-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 25274060
5-[[(3R)-3,4-dimethylpiperazin-1-yl]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 95558896
formic acid;2-(4-methyl-3-phenylpiperazin-1-yl)-1-piperidin-1-ylethanone
CID 171688367
azocan-1-yl-[5-[[2-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 45203962
[5-[[1-(2-chlorophenyl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
CID 45212751
[5-[[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
CID 28783501
piperidin-1-yl-[5-[[[(2R)-4-pyrazol-1-ylbutan-2-yl]amino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 42515139

Frequently Asked Questions

What is the IUPAC name of [5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone (CID 124758325) is [5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone is CN1CCN(Cc2c(C(=O)N3CCCCC3)nc3sccn23)C[C@H]1c1ccccc1.
What is the InChIKey of [5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone?
The InChIKey is YIGBHCPNGVUMGI-IBGZPJMESA-N. The full InChI is InChI=1S/C23H29N5OS/c1-25-12-13-26(16-19(25)18-8-4-2-5-9-18)17-20-21(24-23-28(20)14-15-30-23)22(29)27-10-6-3-7-11-27/h2,4-5,8-9,14-15,19H,3,6-7,10-13,16-17H2,1H3/t19-/m0/s1.
What are the key properties of [5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone?
[5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone has a molecular weight of 423.59 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[(3R)-4-methyl-3-phenylpiperazin-1-yl]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 124758325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).