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

C23H24N4O2S — CID 70692361

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCC1CNCCN1c1ccccc1NC(=O)c1csc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C23H24N4O2S/c1-15-13-24-9-10-27(15)20-5-3-2-4-18(20)25-22(28)19-14-30-23(26-19)17-6-7-21-16(12-17)8-11-29-21/h2-7,12,14-15,24H,8-11,13H2,1H3,(H,25,28)
InChIKeyINQYQIPIONHQKW-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.80
Rot. Bonds4

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

2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 70692361) 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-(2-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID70692361
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCC1CNCCN1c1ccccc1NC(=O)c1csc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C23H24N4O2S/c1-15-13-24-9-10-27(15)20-5-3-2-4-18(20)25-22(28)19-14-30-23(26-19)17-6-7-21-16(12-17)8-11-29-21/h2-7,12,14-15,24H,8-11,13H2,1H3,(H,25,28)
InChIKeyINQYQIPIONHQKW-UHFFFAOYSA-N
XLogP3.80
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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)-5-methyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 71098149
2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]amino]-1,3-oxazole-4-carboxylic acid
CID 141437755
methyl 2-[[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 121339129
2-[3-(dimethylamino)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 71142278
2-(1-benzofuran-5-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 25095213
2-[4-(hydroxymethyl)phenyl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 71142445
2-(1,3-benzodioxol-5-yl)-N-(2-piperazin-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 119446990
2-[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]-1-(2-methylpiperazin-1-yl)ethanone;dihydrochloride
CID 119473111
2-[2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-4-yl]-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 144760922
1,4-diazepan-1-yl-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-4-yl]methanone
CID 119415859
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[4-[3-(4-ethylpiperazine-1-carbonyl)but-3-enyl]-5-methyl-2H-imidazol-2-yl]-1,3-thiazole-4-carboxamide
CID 123598592

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide (CID 70692361) is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-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-(2-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide is CC1CNCCN1c1ccccc1NC(=O)c1csc(-c2ccc3c(c2)CCO3)n1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is INQYQIPIONHQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-15-13-24-9-10-27(15)20-5-3-2-4-18(20)25-22(28)19-14-30-23(26-19)17-6-7-21-16(12-17)8-11-29-21/h2-7,12,14-15,24H,8-11,13H2,1H3,(H,25,28).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide?
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 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-(2-methylpiperazin-1-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70692361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).