2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide

C23H24N4O2S — CID 70683921

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCN1CCN(c2ccccc2NC(=O)c2csc(-c3ccc4c(c3)CCO4)n2)CC1
InChIInChI=1S/C23H24N4O2S/c1-26-9-11-27(12-10-26)20-5-3-2-4-18(20)24-22(28)19-15-30-23(25-19)17-6-7-21-16(14-17)8-13-29-21/h2-7,14-15H,8-13H2,1H3,(H,24,28)
InChIKeyBRZAMYHFZBUAQG-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.75
Rot. Bonds4

About 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide

2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 70683921) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID70683921
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCN1CCN(c2ccccc2NC(=O)c2csc(-c3ccc4c(c3)CCO4)n2)CC1
InChIInChI=1S/C23H24N4O2S/c1-26-9-11-27(12-10-26)20-5-3-2-4-18(20)24-22(28)19-15-30-23(25-19)17-6-7-21-16(14-17)8-13-29-21/h2-7,14-15H,8-13H2,1H3,(H,24,28)
InChIKeyBRZAMYHFZBUAQG-UHFFFAOYSA-N
XLogP3.75
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,3-Dihydro-1-Benzofuran-5-Yl)-N-[2-(Piperazin-1-Yl)phenyl]-1,3-Thiazole-4-Carboxamide
CID 25095215
2-(4-methoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24779778
2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 25095213
2-(4-phenoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 25095483
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 25095743
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3R)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 25095744
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-[(3S)-3-methylpiperazin-1-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 25095999
2-(4-methoxy-3-methylphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 70683919
2-(3,4-dimethoxyphenyl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 70683920
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 70688170
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 70688174
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 70692361

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide (CID 70683921) is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide is CN1CCN(c2ccccc2NC(=O)c2csc(-c3ccc4c(c3)CCO4)n2)CC1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is BRZAMYHFZBUAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-26-9-11-27(12-10-26)20-5-3-2-4-18(20)24-22(28)19-15-30-23(25-19)17-6-7-21-16(14-17)8-13-29-21/h2-7,14-15H,8-13H2,1H3,(H,24,28).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70683921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).