N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide

C20H21ClN4O2S — CID 24664084

IUPACN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)Cc2csc(-c3ccco3)n2)CC1
InChIInChI=1S/C20H21ClN4O2S/c1-24-6-8-25(9-7-24)17-5-4-14(21)11-16(17)23-19(26)12-15-13-28-20(22-15)18-3-2-10-27-18/h2-5,10-11,13H,6-9,12H2,1H3,(H,23,26)
InChIKeyRGCVQHOGXJPLID-UHFFFAOYSA-N
MW416.93 g/mol
LogP3.99
Rot. Bonds5

About N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 24664084) has the molecular formula C20H21ClN4O2S and a molecular weight of 416.93 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID24664084
Molecular FormulaC20H21ClN4O2S
Molecular Weight416.93 g/mol
Exact Mass416.11
IUPAC NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)Cc2csc(-c3ccco3)n2)CC1
InChIInChI=1S/C20H21ClN4O2S/c1-24-6-8-25(9-7-24)17-5-4-14(21)11-16(17)23-19(26)12-15-13-28-20(22-15)18-3-2-10-27-18/h2-5,10-11,13H,6-9,12H2,1H3,(H,23,26)
InChIKeyRGCVQHOGXJPLID-UHFFFAOYSA-N
XLogP3.99
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.93
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide (CID 24664084) is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide is CN1CCN(c2ccc(Cl)cc2NC(=O)Cc2csc(-c3ccco3)n2)CC1.
What is the InChIKey of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is RGCVQHOGXJPLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2S/c1-24-6-8-25(9-7-24)17-5-4-14(21)11-16(17)23-19(26)12-15-13-28-20(22-15)18-3-2-10-27-18/h2-5,10-11,13H,6-9,12H2,1H3,(H,23,26).
What are the key properties of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 416.93 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 24664084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).