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

C22H21N3O3S — CID 70681808

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1csc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C22H21N3O3S/c26-21(23-17-3-1-2-4-19(17)25-8-11-27-12-9-25)18-14-29-22(24-18)16-5-6-20-15(13-16)7-10-28-20/h1-6,13-14H,7-12H2,(H,23,26)
InChIKeyDRTUFTYYMVYVAS-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.83
Rot. Bonds4

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

2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 70681808) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID70681808
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1csc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C22H21N3O3S/c26-21(23-17-3-1-2-4-19(17)25-8-11-27-12-9-25)18-14-29-22(24-18)16-5-6-20-15(13-16)7-10-28-20/h1-6,13-14H,7-12H2,(H,23,26)
InChIKeyDRTUFTYYMVYVAS-UHFFFAOYSA-N
XLogP3.83
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
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)-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide (CID 70681808) is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1N1CCOCC1)c1csc(-c2ccc3c(c2)CCO3)n1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is DRTUFTYYMVYVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c26-21(23-17-3-1-2-4-19(17)25-8-11-27-12-9-25)18-14-29-22(24-18)16-5-6-20-15(13-16)7-10-28-20/h1-6,13-14H,7-12H2,(H,23,26).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide?
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 3.83, 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-morpholin-4-ylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70681808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).