5-[[4-methyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide

C26H25N3O3S — CID 71958249

IUPAC5-[[4-methyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide
SMILESCc1cccc(C(=O)/N=c2\scc(C)n2Cc2ccc(C(=O)NC(C)c3ccccc3)o2)c1
InChIInChI=1S/C26H25N3O3S/c1-17-8-7-11-21(14-17)24(30)28-26-29(18(2)16-33-26)15-22-12-13-23(32-22)25(31)27-19(3)20-9-5-4-6-10-20/h4-14,16,19H,15H2,1-3H3,(H,27,31)/b28-26-
InChIKeyUOQRWAHHWUBEPL-SGEDCAFJSA-N
MW459.57 g/mol
LogP5.04
Rot. Bonds6

About 5-[[4-methyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide

5-[[4-methyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide (PubChem CID 71958249) has the molecular formula C26H25N3O3S and a molecular weight of 459.57 g/mol. Its IUPAC name is 5-[[4-methyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[[4-methyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide
PubChem CID71958249
Molecular FormulaC26H25N3O3S
Molecular Weight459.57 g/mol
Exact Mass459.16
IUPAC Name5-[[4-methyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide
SMILESCc1cccc(C(=O)/N=c2\scc(C)n2Cc2ccc(C(=O)NC(C)c3ccccc3)o2)c1
InChIInChI=1S/C26H25N3O3S/c1-17-8-7-11-21(14-17)24(30)28-26-29(18(2)16-33-26)15-22-12-13-23(32-22)25(31)27-19(3)20-9-5-4-6-10-20/h4-14,16,19H,15H2,1-3H3,(H,27,31)/b28-26-
InChIKeyUOQRWAHHWUBEPL-SGEDCAFJSA-N
XLogP5.04
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.57
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

5-[(3-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 19465616
N-[4,5-dimethyl-3-[[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]-3-methoxybenzamide
CID 97413846
4-methyl-N-[3-[[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
CID 93306639
5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide
CID 844051
5-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 42850708
5-[(4-chloropyrazol-1-yl)methyl]-N-[(1S)-1-phenylethyl]furan-2-carboxamide
CID 39891375
5-[[6-[2-(3-methylphenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]methyl]-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 93319001
5-[[2-(3-chlorobenzoyl)imino-4,5-dimethyl-1,3-thiazol-3-yl]methyl]-N-[2-(dimethylamino)ethyl]furan-2-carboxamide
CID 51067213
N-[1-(3-benzamidophenyl)ethyl]-5-(diethylaminomethyl)furan-2-carboxamide
CID 47076551
5-(benzenesulfonylmethyl)-N-[1-(4-methylphenyl)ethyl]furan-2-carboxamide
CID 46590352
5-[(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 50784358
3-methyl-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]benzamide
CID 46757042

Frequently Asked Questions

What is the IUPAC name of 5-[[4-methyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide?
The IUPAC name of 5-[[4-methyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide (CID 71958249) is 5-[[4-methyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[[4-methyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide?
The canonical SMILES for 5-[[4-methyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide is Cc1cccc(C(=O)/N=c2\scc(C)n2Cc2ccc(C(=O)NC(C)c3ccccc3)o2)c1.
What is the InChIKey of 5-[[4-methyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide?
The InChIKey is UOQRWAHHWUBEPL-SGEDCAFJSA-N. The full InChI is InChI=1S/C26H25N3O3S/c1-17-8-7-11-21(14-17)24(30)28-26-29(18(2)16-33-26)15-22-12-13-23(32-22)25(31)27-19(3)20-9-5-4-6-10-20/h4-14,16,19H,15H2,1-3H3,(H,27,31)/b28-26-.
What are the key properties of 5-[[4-methyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide?
5-[[4-methyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-methyl-2-(3-methylbenzoyl)imino-1,3-thiazol-3-yl]methyl]-N-(1-phenylethyl)furan-2-carboxamide is sourced from PubChem (CID 71958249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).