N-(3,4-dihydro-2H-chromen-4-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide

C23H18N2O3S — CID 46551376

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CCOc2ccccc21)c1sc(-c2ccco2)nc1-c1ccccc1
InChIInChI=1S/C23H18N2O3S/c26-22(24-17-12-14-28-18-10-5-4-9-16(17)18)21-20(15-7-2-1-3-8-15)25-23(29-21)19-11-6-13-27-19/h1-11,13,17H,12,14H2,(H,24,26)
InChIKeyWUCOHHYBALURIH-UHFFFAOYSA-N
MW402.48 g/mol
LogP5.32
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-4-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide

N-(3,4-dihydro-2H-chromen-4-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 46551376) has the molecular formula C23H18N2O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID46551376
Molecular FormulaC23H18N2O3S
Molecular Weight402.48 g/mol
Exact Mass402.10
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(NC1CCOc2ccccc21)c1sc(-c2ccco2)nc1-c1ccccc1
InChIInChI=1S/C23H18N2O3S/c26-22(24-17-12-14-28-18-10-5-4-9-16(17)18)21-20(15-7-2-1-3-8-15)25-23(29-21)19-11-6-13-27-19/h1-11,13,17H,12,14H2,(H,24,26)
InChIKeyWUCOHHYBALURIH-UHFFFAOYSA-N
XLogP5.32
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.48
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dihydro-2H-chromen-4-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(furan-2-yl)-4-phenyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119385843
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-7-phenylthieno[2,3-c]pyridine-2-carboxamide
CID 162493581
2-(furan-2-yl)-N-(2-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 36766447
2-(3-chlorophenyl)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 9193279
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 9193152
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 8927968
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylthiophene-2-carboxamide
CID 31284395
2-(furan-2-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 37488570
2-(furan-2-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 55585334
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9193206
N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
N-(4-aminocyclohexyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 119477493

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide (CID 46551376) is N-(3,4-dihydro-2H-chromen-4-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide is O=C(NC1CCOc2ccccc21)c1sc(-c2ccco2)nc1-c1ccccc1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is WUCOHHYBALURIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3S/c26-22(24-17-12-14-28-18-10-5-4-9-16(17)18)21-20(15-7-2-1-3-8-15)25-23(29-21)19-11-6-13-27-19/h1-11,13,17H,12,14H2,(H,24,26).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide?
N-(3,4-dihydro-2H-chromen-4-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 46551376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).