2-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

C23H24N4O2S — CID 71098149

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccc3c(c2)CCO3)nc1C(=O)Nc1ccccc1N1CCNCC1
InChIInChI=1S/C23H24N4O2S/c1-15-21(26-23(30-15)17-6-7-20-16(14-17)8-13-29-20)22(28)25-18-4-2-3-5-19(18)27-11-9-24-10-12-27/h2-7,14,24H,8-13H2,1H3,(H,25,28)
InChIKeyDPNMECXUSDEIJL-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.72
Rot. Bonds4

About 2-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide

2-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 71098149) 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)-5-methyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID71098149
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccc3c(c2)CCO3)nc1C(=O)Nc1ccccc1N1CCNCC1
InChIInChI=1S/C23H24N4O2S/c1-15-21(26-23(30-15)17-6-7-20-16(14-17)8-13-29-20)22(28)25-18-4-2-3-5-19(18)27-11-9-24-10-12-27/h2-7,14,24H,8-13H2,1H3,(H,25,28)
InChIKeyDPNMECXUSDEIJL-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide (CID 71098149) is 2-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is Cc1sc(-c2ccc3c(c2)CCO3)nc1C(=O)Nc1ccccc1N1CCNCC1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is DPNMECXUSDEIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-15-21(26-23(30-15)17-6-7-20-16(14-17)8-13-29-20)22(28)25-18-4-2-3-5-19(18)27-11-9-24-10-12-27/h2-7,14,24H,8-13H2,1H3,(H,25,28).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide?
2-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 3.72, 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)-5-methyl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71098149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).