2-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide

C20H21ClN4O2S — CID 644688

IUPAC2-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1)NCc1ccco1
InChIInChI=1S/C20H21ClN4O2S/c21-16-5-3-15(4-6-16)18-14-28-20(23-18)25-9-7-24(8-10-25)13-19(26)22-12-17-2-1-11-27-17/h1-6,11,14H,7-10,12-13H2,(H,22,26)
InChIKeyAJHSXPCOFBGQFG-UHFFFAOYSA-N
MW416.93 g/mol
LogP3.49
Rot. Bonds6

About 2-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide

2-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 644688) has the molecular formula C20H21ClN4O2S and a molecular weight of 416.93 g/mol. Its IUPAC name is 2-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID644688
Molecular FormulaC20H21ClN4O2S
Molecular Weight416.93 g/mol
Exact Mass416.11
IUPAC Name2-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1)NCc1ccco1
InChIInChI=1S/C20H21ClN4O2S/c21-16-5-3-15(4-6-16)18-14-28-20(23-18)25-9-7-24(8-10-25)13-19(26)22-12-17-2-1-11-27-17/h1-6,11,14H,7-10,12-13H2,(H,22,26)
InChIKeyAJHSXPCOFBGQFG-UHFFFAOYSA-N
XLogP3.49
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 644688) is 2-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide is O=C(CN1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1)NCc1ccco1.
What is the InChIKey of 2-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is AJHSXPCOFBGQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2S/c21-16-5-3-15(4-6-16)18-14-28-20(23-18)25-9-7-24(8-10-25)13-19(26)22-12-17-2-1-11-27-17/h1-6,11,14H,7-10,12-13H2,(H,22,26).
What are the key properties of 2-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 416.93 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 644688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).