2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazole-4-carboxamide

C23H21N3O2S — CID 70688170

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1C1=CCNCC1)c1csc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C23H21N3O2S/c27-22(25-19-4-2-1-3-18(19)15-7-10-24-11-8-15)20-14-29-23(26-20)17-5-6-21-16(13-17)9-12-28-21/h1-7,13-14,24H,8-12H2,(H,25,27)
InChIKeyLOKSSVRORJUSAG-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.37
Rot. Bonds4

About 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazole-4-carboxamide

2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 70688170) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID70688170
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1C1=CCNCC1)c1csc(-c2ccc3c(c2)CCO3)n1
InChIInChI=1S/C23H21N3O2S/c27-22(25-19-4-2-1-3-18(19)15-7-10-24-11-8-15)20-14-29-23(26-20)17-5-6-21-16(13-17)9-12-28-21/h1-7,13-14,24H,8-12H2,(H,25,27)
InChIKeyLOKSSVRORJUSAG-UHFFFAOYSA-N
XLogP4.37
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-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
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-piperazin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 71098351
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 71098352

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 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) is 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1C1=CCNCC1)c1csc(-c2ccc3c(c2)CCO3)n1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LOKSSVRORJUSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c27-22(25-19-4-2-1-3-18(19)15-7-10-24-11-8-15)20-14-29-23(26-20)17-5-6-21-16(13-17)9-12-28-21/h1-7,13-14,24H,8-12H2,(H,25,27).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazole-4-carboxamide?
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 403.51 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70688170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).