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

C19H18ClN3O2S — CID 6467836

IUPAC[4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(Cc2csc(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C19H18ClN3O2S/c20-16-5-2-1-4-15(16)18-21-14(13-26-18)12-22-7-9-23(10-8-22)19(24)17-6-3-11-25-17/h1-6,11,13H,7-10,12H2
InChIKeyXWRJEVHQZULRNE-UHFFFAOYSA-N
MW387.89 g/mol
LogP4.01
Rot. Bonds4

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

[4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 6467836) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is [4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID6467836
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name[4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(Cc2csc(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C19H18ClN3O2S/c20-16-5-2-1-4-15(16)18-21-14(13-26-18)12-22-7-9-23(10-8-22)19(24)17-6-3-11-25-17/h1-6,11,13H,7-10,12H2
InChIKeyXWRJEVHQZULRNE-UHFFFAOYSA-N
XLogP4.01
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 6467836) is [4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(Cc2csc(-c3ccccc3Cl)n2)CC1.
What is the InChIKey of [4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is XWRJEVHQZULRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c20-16-5-2-1-4-15(16)18-21-14(13-26-18)12-22-7-9-23(10-8-22)19(24)17-6-3-11-25-17/h1-6,11,13H,7-10,12H2.
What are the key properties of [4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 387.89 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 6467836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).