(2-fluorophenyl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone

C19H18FN3O2S — CID 30860537

IUPAC(2-fluorophenyl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCN(Cc2nc(-c3ccco3)cs2)CC1
InChIInChI=1S/C19H18FN3O2S/c20-15-5-2-1-4-14(15)19(24)23-9-7-22(8-10-23)12-18-21-16(13-26-18)17-6-3-11-25-17/h1-6,11,13H,7-10,12H2
InChIKeyVRYHRWTWFFTUHN-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.50
Rot. Bonds4

About (2-fluorophenyl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone

(2-fluorophenyl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone (PubChem CID 30860537) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone
PubChem CID30860537
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name(2-fluorophenyl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCN(Cc2nc(-c3ccco3)cs2)CC1
InChIInChI=1S/C19H18FN3O2S/c20-15-5-2-1-4-14(15)19(24)23-9-7-22(8-10-23)12-18-21-16(13-26-18)17-6-3-11-25-17/h1-6,11,13H,7-10,12H2
InChIKeyVRYHRWTWFFTUHN-UHFFFAOYSA-N
XLogP3.50
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 30486533
N-tert-butyl-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30868826
(2R)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-phenylbutan-1-one
CID 30860587
(2-fluorophenyl)-[4-[5-(furan-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]methanone
CID 20910914
4-(furan-2-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 30463781
(2,4-difluorophenyl)-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone;hydrochloride
CID 71780196
2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-N-propylacetamide
CID 30486755
2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide;oxalic acid
CID 71780576
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 119710424
N-(2,4-dimethylphenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 30486660
(4-fluorophenyl)-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 134001270
N-(3-chlorophenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid
CID 71780580

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone (CID 30860537) is (2-fluorophenyl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone is O=C(c1ccccc1F)N1CCN(Cc2nc(-c3ccco3)cs2)CC1.
What is the InChIKey of (2-fluorophenyl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is VRYHRWTWFFTUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c20-15-5-2-1-4-14(15)19(24)23-9-7-22(8-10-23)12-18-21-16(13-26-18)17-6-3-11-25-17/h1-6,11,13H,7-10,12H2.
What are the key properties of (2-fluorophenyl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone?
(2-fluorophenyl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 371.44 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 30860537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).