imidazo[2,1-b][1,3]thiazol-6-yl-(4-phenylpiperazin-1-yl)methanone

C16H16N4OS — CID 110853246

IUPACimidazo[2,1-b][1,3]thiazol-6-yl-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cn2ccsc2n1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H16N4OS/c21-15(14-12-20-10-11-22-16(20)17-14)19-8-6-18(7-9-19)13-4-2-1-3-5-13/h1-5,10-12H,6-9H2
InChIKeyGRUOBJCNNYFIRM-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.36
Rot. Bonds2

About imidazo[2,1-b][1,3]thiazol-6-yl-(4-phenylpiperazin-1-yl)methanone

imidazo[2,1-b][1,3]thiazol-6-yl-(4-phenylpiperazin-1-yl)methanone (PubChem CID 110853246) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is imidazo[2,1-b][1,3]thiazol-6-yl-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Nameimidazo[2,1-b][1,3]thiazol-6-yl-(4-phenylpiperazin-1-yl)methanone
PubChem CID110853246
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Nameimidazo[2,1-b][1,3]thiazol-6-yl-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(c1cn2ccsc2n1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H16N4OS/c21-15(14-12-20-10-11-22-16(20)17-14)19-8-6-18(7-9-19)13-4-2-1-3-5-13/h1-5,10-12H,6-9H2
InChIKeyGRUOBJCNNYFIRM-UHFFFAOYSA-N
XLogP2.36
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)piperidine-4-carboxylic acid
CID 56865263
1-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56889059
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110961456
N-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 110862125
[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 110208453
6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl-(4-phenylpiperazin-1-yl)methanone
CID 53167811
(4-phenylpiperazin-1-yl)-(6-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 84573598
[2-(4-phenylpiperazin-1-yl)-1,3-thiazol-4-yl]-thiomorpholin-4-ylmethanone
CID 118778045
(4-phenylpiperazin-1-yl)-(4-pyrrol-1-yl-2-pyridinyl)methanone
CID 71801413
4-chloro-N-[4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 16915044
[4-(1,3-benzodioxol-5-ylmethyl)-1,4-diazepan-1-yl]-imidazo[2,1-b][1,3]thiazol-6-ylmethanone
CID 138810126
(4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone
CID 110695891

Frequently Asked Questions

What is the IUPAC name of imidazo[2,1-b][1,3]thiazol-6-yl-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of imidazo[2,1-b][1,3]thiazol-6-yl-(4-phenylpiperazin-1-yl)methanone (CID 110853246) is imidazo[2,1-b][1,3]thiazol-6-yl-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for imidazo[2,1-b][1,3]thiazol-6-yl-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for imidazo[2,1-b][1,3]thiazol-6-yl-(4-phenylpiperazin-1-yl)methanone is O=C(c1cn2ccsc2n1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of imidazo[2,1-b][1,3]thiazol-6-yl-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is GRUOBJCNNYFIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c21-15(14-12-20-10-11-22-16(20)17-14)19-8-6-18(7-9-19)13-4-2-1-3-5-13/h1-5,10-12H,6-9H2.
What are the key properties of imidazo[2,1-b][1,3]thiazol-6-yl-(4-phenylpiperazin-1-yl)methanone?
imidazo[2,1-b][1,3]thiazol-6-yl-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 312.40 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[2,1-b][1,3]thiazol-6-yl-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 110853246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).