[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone

C16H14ClN3O2S — CID 7292625

IUPAC[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2nc3c(Cl)cccc3s2)CC1
InChIInChI=1S/C16H14ClN3O2S/c17-11-3-1-5-13-14(11)18-16(23-13)20-8-6-19(7-9-20)15(21)12-4-2-10-22-12/h1-5,10H,6-9H2
InChIKeyKQGVRGDHAKMXDY-UHFFFAOYSA-N
MW347.83 g/mol
LogP3.51
Rot. Bonds2

About [4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 7292625) has the molecular formula C16H14ClN3O2S and a molecular weight of 347.83 g/mol. Its IUPAC name is [4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID7292625
Molecular FormulaC16H14ClN3O2S
Molecular Weight347.83 g/mol
Exact Mass347.05
IUPAC Name[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2nc3c(Cl)cccc3s2)CC1
InChIInChI=1S/C16H14ClN3O2S/c17-11-3-1-5-13-14(11)18-16(23-13)20-8-6-19(7-9-20)15(21)12-4-2-10-22-12/h1-5,10H,6-9H2
InChIKeyKQGVRGDHAKMXDY-UHFFFAOYSA-N
XLogP3.51
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone (CID 7292625) is [4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(c2nc3c(Cl)cccc3s2)CC1.
What is the InChIKey of [4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is KQGVRGDHAKMXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S/c17-11-3-1-5-13-14(11)18-16(23-13)20-8-6-19(7-9-20)15(21)12-4-2-10-22-12/h1-5,10H,6-9H2.
What are the key properties of [4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 347.83 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 7292625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).