2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-methyl-5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone

C20H22N4O2S — CID 147071236

IUPAC2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-methyl-5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone
SMILESCc1nc(C(=O)Cc2cc(-c3ccoc3)ccc2N)sc1N1CCNCC1
InChIInChI=1S/C20H22N4O2S/c1-13-20(24-7-5-22-6-8-24)27-19(23-13)18(25)11-16-10-14(2-3-17(16)21)15-4-9-26-12-15/h2-4,9-10,12,22H,5-8,11,21H2,1H3
InChIKeyBFCBGCFXPURPKT-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.13
Rot. Bonds5

About 2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-methyl-5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone

2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-methyl-5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone (PubChem CID 147071236) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-methyl-5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-methyl-5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone
PubChem CID147071236
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-methyl-5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone
SMILESCc1nc(C(=O)Cc2cc(-c3ccoc3)ccc2N)sc1N1CCNCC1
InChIInChI=1S/C20H22N4O2S/c1-13-20(24-7-5-22-6-8-24)27-19(23-13)18(25)11-16-10-14(2-3-17(16)21)15-4-9-26-12-15/h2-4,9-10,12,22H,5-8,11,21H2,1H3
InChIKeyBFCBGCFXPURPKT-UHFFFAOYSA-N
XLogP3.13
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-5-thiophen-2-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone
CID 152797757
lithium;N-[2-amino-5-(furan-3-yl)phenyl]-4-methyl-5-piperazin-1-yl-1,3-thiazole-2-carboxamide;tert-butyl N-[2-amino-4-(furan-3-yl)phenyl]carbamate;tert-butyl 4-[2-[[5-(furan-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]-4-methyl-1,3-thiazol-5-yl]piperazine-1-carboxylate;4-methyl-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-2-carboxylate
CID 158470964
2-[2-amino-5-(furan-2-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone
CID 161473158
2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-ylphenyl)ethanone
CID 148807592
2-[2-amino-5-(furan-2-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone;2-(2-amino-5-pyridin-2-ylphenyl)-1-(5-piperazin-1-yl-2-pyridinyl)ethanone
CID 158085088
N-[2-amino-5-(furan-3-yl)phenyl]-4-methylbenzamide;morpholine
CID 174575991
6-ethyl-4-(furan-3-yl)-2-piperazin-1-ylthieno[2,3-d]pyrimidin-5-amine;formamide
CID 143626952
N-[2-[[5-[4-amino-3-[[5-(4-methylpiperazin-1-yl)pyrazine-2-carbonyl]amino]phenyl]thiophen-3-yl]amino]-5-(furan-3-yl)phenyl]-5-piperazin-1-yl-1,3-thiazole-2-carboxamide
CID 139417300
5-ethyl-4-methyl-2-piperazin-1-ylpyrimidine
CID 103278300
2,5-dimethyl-6-piperazin-1-ylpyridine-3-carboxamide
CID 177356020
2-fluoro-4-(furan-3-yl)aniline
CID 63949951
1,4-diazepan-1-yl-[2-(furan-3-yl)-1,3-thiazol-4-yl]methanone
CID 119418759

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-methyl-5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-methyl-5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone (CID 147071236) is 2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-methyl-5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-methyl-5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-methyl-5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone is Cc1nc(C(=O)Cc2cc(-c3ccoc3)ccc2N)sc1N1CCNCC1.
What is the InChIKey of 2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-methyl-5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone?
The InChIKey is BFCBGCFXPURPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-13-20(24-7-5-22-6-8-24)27-19(23-13)18(25)11-16-10-14(2-3-17(16)21)15-4-9-26-12-15/h2-4,9-10,12,22H,5-8,11,21H2,1H3.
What are the key properties of 2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-methyl-5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone?
2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-methyl-5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone has a molecular weight of 382.49 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-methyl-5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 147071236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).