N-(furan-2-ylmethyl)-2-(4-methylphenyl)-N-phenyl-1,3-thiazole-4-carboxamide

C22H18N2O2S — CID 18273783

IUPACN-(furan-2-ylmethyl)-2-(4-methylphenyl)-N-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)N(Cc3ccco3)c3ccccc3)cs2)cc1
InChIInChI=1S/C22H18N2O2S/c1-16-9-11-17(12-10-16)21-23-20(15-27-21)22(25)24(14-19-8-5-13-26-19)18-6-3-2-4-7-18/h2-13,15H,14H2,1H3
InChIKeyFGKOQEVBMPRVBU-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.56
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(4-methylphenyl)-N-phenyl-1,3-thiazole-4-carboxamide

N-(furan-2-ylmethyl)-2-(4-methylphenyl)-N-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 18273783) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-methylphenyl)-N-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-methylphenyl)-N-phenyl-1,3-thiazole-4-carboxamide
PubChem CID18273783
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC NameN-(furan-2-ylmethyl)-2-(4-methylphenyl)-N-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)N(Cc3ccco3)c3ccccc3)cs2)cc1
InChIInChI=1S/C22H18N2O2S/c1-16-9-11-17(12-10-16)21-23-20(15-27-21)22(25)24(14-19-8-5-13-26-19)18-6-3-2-4-7-18/h2-13,15H,14H2,1H3
InChIKeyFGKOQEVBMPRVBU-UHFFFAOYSA-N
XLogP5.56
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 17499300
N-(furan-2-ylmethyl)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 18192896
N-benzyl-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-phenylacetamide
CID 18209419
ethyl 6-[furan-2-ylmethyl(phenyl)carbamoyl]-2-methylpyridine-3-carboxylate
CID 55632980
N-(furan-2-ylmethyl)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1374213
N-methyl-2-(4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 18114181
2-amino-N-(furan-2-ylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 62787665
2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 43854946
N-benzyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 9191739
3,5-difluoro-N-(furan-2-ylmethyl)-N-(4-methylphenyl)benzamide
CID 18226162
N-(furan-2-ylmethyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 99181625

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-methylphenyl)-N-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-methylphenyl)-N-phenyl-1,3-thiazole-4-carboxamide (CID 18273783) is N-(furan-2-ylmethyl)-2-(4-methylphenyl)-N-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-methylphenyl)-N-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-methylphenyl)-N-phenyl-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)N(Cc3ccco3)c3ccccc3)cs2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-methylphenyl)-N-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is FGKOQEVBMPRVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-16-9-11-17(12-10-16)21-23-20(15-27-21)22(25)24(14-19-8-5-13-26-19)18-6-3-2-4-7-18/h2-13,15H,14H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-(4-methylphenyl)-N-phenyl-1,3-thiazole-4-carboxamide?
N-(furan-2-ylmethyl)-2-(4-methylphenyl)-N-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-methylphenyl)-N-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 18273783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).