N-[4-amino-2-(furan-3-yl)-5-[(3-hydroxy-3-methylbutyl)iminomethyl]phenyl]-2-(1,3-oxazol-4-yl)-1,3-thiazole-4-carboxamide

C23H23N5O4S — CID 176659407

IUPACN-[4-amino-2-(furan-3-yl)-5-[(3-hydroxy-3-methylbutyl)iminomethyl]phenyl]-2-(1,3-oxazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(O)CC/N=C/c1cc(NC(=O)c2csc(-c3cocn3)n2)c(-c2ccoc2)cc1N
InChIInChI=1S/C23H23N5O4S/c1-23(2,30)4-5-25-9-15-7-18(16(8-17(15)24)14-3-6-31-10-14)27-21(29)20-12-33-22(28-20)19-11-32-13-26-19/h3,6-13,30H,4-5,24H2,1-2H3,(H,27,29)/b25-9+
InChIKeyYSGSOXLDMBSNML-YCPBAFNGSA-N
MW465.54 g/mol
LogP4.47
Rot. Bonds8

About N-[4-amino-2-(furan-3-yl)-5-[(3-hydroxy-3-methylbutyl)iminomethyl]phenyl]-2-(1,3-oxazol-4-yl)-1,3-thiazole-4-carboxamide

N-[4-amino-2-(furan-3-yl)-5-[(3-hydroxy-3-methylbutyl)iminomethyl]phenyl]-2-(1,3-oxazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 176659407) has the molecular formula C23H23N5O4S and a molecular weight of 465.54 g/mol. Its IUPAC name is N-[4-amino-2-(furan-3-yl)-5-[(3-hydroxy-3-methylbutyl)iminomethyl]phenyl]-2-(1,3-oxazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-amino-2-(furan-3-yl)-5-[(3-hydroxy-3-methylbutyl)iminomethyl]phenyl]-2-(1,3-oxazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID176659407
Molecular FormulaC23H23N5O4S
Molecular Weight465.54 g/mol
Exact Mass465.15
IUPAC NameN-[4-amino-2-(furan-3-yl)-5-[(3-hydroxy-3-methylbutyl)iminomethyl]phenyl]-2-(1,3-oxazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)(O)CC/N=C/c1cc(NC(=O)c2csc(-c3cocn3)n2)c(-c2ccoc2)cc1N
InChIInChI=1S/C23H23N5O4S/c1-23(2,30)4-5-25-9-15-7-18(16(8-17(15)24)14-3-6-31-10-14)27-21(29)20-12-33-22(28-20)19-11-32-13-26-19/h3,6-13,30H,4-5,24H2,1-2H3,(H,27,29)/b25-9+
InChIKeyYSGSOXLDMBSNML-YCPBAFNGSA-N
XLogP4.47
TPSA139.77 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.54
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[4-amino-2-(furan-3-yl)-5-[(3-hydroxy-3-methylbutyl)iminomethyl]phenyl]-2-(1,3-oxazol-4-yl)-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-[4-amino-2-(furan-3-yl)-5-[(3-hydroxy-3-methylbutyl)iminomethyl]phenyl]-2-(6-methyl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 176659455
N-[4-amino-2-(furan-3-yl)-5-[(3-hydroxy-3-methylbutyl)iminomethyl]phenyl]-2-(3,4-dihydropyridin-4-yl)-1,3-thiazole-4-carboxamide
CID 176659480
N-[4-amino-3-(furan-3-yl)-5-[(3-hydroxy-3-methylbutyl)iminomethyl]phenyl]-2-(2-amino-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 176659505
N-[4-amino-5-[(3-amino-3-oxopropyl)iminomethyl]-2-(furan-3-yl)phenyl]-2-(6-fluoro-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 176659508
N-[4-amino-2-[(Z)-1-amino-3-iminoprop-1-enyl]-5-[2-(dimethylamino)ethyliminomethyl]phenyl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 176659394
2-(furan-3-yl)-N-(2-hydroxy-2-methylpropyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 111543370
(2R)-2-[[2-(furan-3-yl)-1,3-thiazole-4-carbonyl]amino]-2,3-dimethylbutanoic acid
CID 97337419
2-(2-amino-4-pyridinyl)-N-[2-(3-hydroxy-3-methylbutyl)-3-methyl-7-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2-benzazepin-8-yl]-1,3-thiazole-4-carboxamide
CID 176659502
2-(furan-3-yl)-N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]-1,3-thiazole-4-carboxamide
CID 95616913
2-(furan-3-yl)-N-[(3-hydroxythiolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 111596989
N-[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-(furan-3-yl)-1,3-thiazole-4-carboxamide
CID 86899908
N-[4-amino-2-(4-hydroxypiperidin-1-yl)-5-(methyliminomethyl)phenyl]-2-(2-amino-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 138457212

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-(furan-3-yl)-5-[(3-hydroxy-3-methylbutyl)iminomethyl]phenyl]-2-(1,3-oxazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-amino-2-(furan-3-yl)-5-[(3-hydroxy-3-methylbutyl)iminomethyl]phenyl]-2-(1,3-oxazol-4-yl)-1,3-thiazole-4-carboxamide (CID 176659407) is N-[4-amino-2-(furan-3-yl)-5-[(3-hydroxy-3-methylbutyl)iminomethyl]phenyl]-2-(1,3-oxazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-amino-2-(furan-3-yl)-5-[(3-hydroxy-3-methylbutyl)iminomethyl]phenyl]-2-(1,3-oxazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-amino-2-(furan-3-yl)-5-[(3-hydroxy-3-methylbutyl)iminomethyl]phenyl]-2-(1,3-oxazol-4-yl)-1,3-thiazole-4-carboxamide is CC(C)(O)CC/N=C/c1cc(NC(=O)c2csc(-c3cocn3)n2)c(-c2ccoc2)cc1N.
What is the InChIKey of N-[4-amino-2-(furan-3-yl)-5-[(3-hydroxy-3-methylbutyl)iminomethyl]phenyl]-2-(1,3-oxazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is YSGSOXLDMBSNML-YCPBAFNGSA-N. The full InChI is InChI=1S/C23H23N5O4S/c1-23(2,30)4-5-25-9-15-7-18(16(8-17(15)24)14-3-6-31-10-14)27-21(29)20-12-33-22(28-20)19-11-32-13-26-19/h3,6-13,30H,4-5,24H2,1-2H3,(H,27,29)/b25-9+.
What are the key properties of N-[4-amino-2-(furan-3-yl)-5-[(3-hydroxy-3-methylbutyl)iminomethyl]phenyl]-2-(1,3-oxazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[4-amino-2-(furan-3-yl)-5-[(3-hydroxy-3-methylbutyl)iminomethyl]phenyl]-2-(1,3-oxazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 465.54 g/mol, XLogP of 4.47, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-(furan-3-yl)-5-[(3-hydroxy-3-methylbutyl)iminomethyl]phenyl]-2-(1,3-oxazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 176659407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).