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

C21H21N5O2S — CID 71098351

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-piperazin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccncc1N1CCNCC1)c1csc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C21H21N5O2S/c27-20(24-16-3-5-23-12-18(16)26-8-6-22-7-9-26)17-13-29-21(25-17)15-1-2-19-14(11-15)4-10-28-19/h1-3,5,11-13,22H,4,6-10H2,(H,23,24,27)
InChIKeyYVJKTILSXBCBJP-UHFFFAOYSA-N
MW407.50 g/mol
LogP2.80
Rot. Bonds4

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

2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-piperazin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 71098351) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-piperazin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-piperazin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID71098351
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-piperazin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccncc1N1CCNCC1)c1csc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C21H21N5O2S/c27-20(24-16-3-5-23-12-18(16)26-8-6-22-7-9-26)17-13-29-21(25-17)15-1-2-19-14(11-15)4-10-28-19/h1-3,5,11-13,22H,4,6-10H2,(H,23,24,27)
InChIKeyYVJKTILSXBCBJP-UHFFFAOYSA-N
XLogP2.80
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-piperazin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-piperazin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-piperazin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide (CID 71098351) is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-piperazin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-piperazin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-piperazin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccncc1N1CCNCC1)c1csc(-c2ccc3c(c2)CCO3)n1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-piperazin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is YVJKTILSXBCBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c27-20(24-16-3-5-23-12-18(16)26-8-6-22-7-9-26)17-13-29-21(25-17)15-1-2-19-14(11-15)4-10-28-19/h1-3,5,11-13,22H,4,6-10H2,(H,23,24,27).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-piperazin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide?
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-piperazin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-piperazin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71098351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).