5-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide

C22H18N2O2S — CID 108748108

IUPAC5-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3csc(-c4ccccc4C)n3)cc2)o1
InChIInChI=1S/C22H18N2O2S/c1-14-5-3-4-6-18(14)22-24-19(13-27-22)16-8-10-17(11-9-16)23-21(25)20-12-7-15(2)26-20/h3-13H,1-2H3,(H,23,25)
InChIKeyQTZZLFDANMMTOO-UHFFFAOYSA-N
MW374.47 g/mol
LogP5.94
Rot. Bonds4

About 5-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide

5-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide (PubChem CID 108748108) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 5-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
PubChem CID108748108
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name5-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3csc(-c4ccccc4C)n3)cc2)o1
InChIInChI=1S/C22H18N2O2S/c1-14-5-3-4-6-18(14)22-24-19(13-27-22)16-8-10-17(11-9-16)23-21(25)20-12-7-15(2)26-20/h3-13H,1-2H3,(H,23,25)
InChIKeyQTZZLFDANMMTOO-UHFFFAOYSA-N
XLogP5.94
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.47
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108748097
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108748089
N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-4-oxo-4-phenylbutanamide
CID 108748072
N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-2-(4-propylphenoxy)acetamide
CID 108770118
N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108810689
2-bromo-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]butanamide
CID 108748042
2-(2-methylphenoxy)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108748059
N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
CID 108770069
N-[6-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]anilino]-6-oxohexyl]benzamide
CID 108748009
2-(1-adamantyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]acetamide
CID 108770065
3,5-dimethyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286288
2-(4-chlorophenyl)-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 108809663

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide (CID 108748108) is 5-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(-c3csc(-c4ccccc4C)n3)cc2)o1.
What is the InChIKey of 5-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide?
The InChIKey is QTZZLFDANMMTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c1-14-5-3-4-6-18(14)22-24-19(13-27-22)16-8-10-17(11-9-16)23-21(25)20-12-7-15(2)26-20/h3-13H,1-2H3,(H,23,25).
What are the key properties of 5-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide?
5-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 108748108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).