N-(furan-2-ylmethyl)-N-[(3-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide

C24H22N2O3S — CID 43854873

IUPACN-(furan-2-ylmethyl)-N-[(3-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(CN(Cc2ccco2)C(=O)c2nc(C)sc2-c2ccccc2)c1
InChIInChI=1S/C24H22N2O3S/c1-17-25-22(23(30-17)19-9-4-3-5-10-19)24(27)26(16-21-12-7-13-29-21)15-18-8-6-11-20(14-18)28-2/h3-14H,15-16H2,1-2H3
InChIKeySECCMMCMNJVFMH-UHFFFAOYSA-N
MW418.52 g/mol
LogP5.56
Rot. Bonds7

About N-(furan-2-ylmethyl)-N-[(3-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide

N-(furan-2-ylmethyl)-N-[(3-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 43854873) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[(3-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[(3-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
PubChem CID43854873
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC NameN-(furan-2-ylmethyl)-N-[(3-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(CN(Cc2ccco2)C(=O)c2nc(C)sc2-c2ccccc2)c1
InChIInChI=1S/C24H22N2O3S/c1-17-25-22(23(30-17)19-9-4-3-5-10-19)24(27)26(16-21-12-7-13-29-21)15-18-8-6-11-20(14-18)28-2/h3-14H,15-16H2,1-2H3
InChIKeySECCMMCMNJVFMH-UHFFFAOYSA-N
XLogP5.56
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.52
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(furan-2-ylmethyl)-N-[(3-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-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

N-(furan-2-ylmethyl)-N-(4-methoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 43854946
N-(furan-2-ylmethyl)-N-[(3-phenoxyphenyl)methyl]benzamide
CID 42705565
N-(furan-2-ylmethyl)-N-[[4-(4-methoxyphenyl)phenyl]methyl]benzamide
CID 59260608
[3-[[furan-2-ylmethyl(naphthalene-1-carbonyl)amino]methyl]phenyl] methanesulfonate
CID 42775438
[3-[[furan-2-ylmethyl-(4-methoxybenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 4667822
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-3-methoxybenzamide
CID 3978223
3-benzyl-1-(furan-2-ylmethyl)-1-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea
CID 46111699
N-(furan-2-ylmethyl)-3-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 90495633
N-benzyl-4-methoxy-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 51070232
[3-[[(4-fluorobenzoyl)-(furan-2-ylmethyl)amino]methyl]phenyl] methanesulfonate
CID 42775425
N-benzyl-N-(furan-2-ylmethyl)-6-methoxypyridine-3-carboxamide
CID 34907486
N-(2-aminoethyl)-N-cyclopropyl-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 68724103

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[(3-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[(3-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide (CID 43854873) is N-(furan-2-ylmethyl)-N-[(3-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[(3-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[(3-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide is COc1cccc(CN(Cc2ccco2)C(=O)c2nc(C)sc2-c2ccccc2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[(3-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is SECCMMCMNJVFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-17-25-22(23(30-17)19-9-4-3-5-10-19)24(27)26(16-21-12-7-13-29-21)15-18-8-6-11-20(14-18)28-2/h3-14H,15-16H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[(3-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
N-(furan-2-ylmethyl)-N-[(3-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[(3-methoxyphenyl)methyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 43854873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).