N'-hydroxy-4-[5-[4-[2-(2-methoxyethylamino)-5-methyl-1,3-thiazol-4-yl]phenoxy]pentoxy]benzenecarboximidamide

C25H32N4O4S — CID 73016993

IUPACN'-hydroxy-4-[5-[4-[2-(2-methoxyethylamino)-5-methyl-1,3-thiazol-4-yl]phenoxy]pentoxy]benzenecarboximidamide
SMILESCOCCNc1nc(-c2ccc(OCCCCCOc3ccc(C(N)=NO)cc3)cc2)c(C)s1
InChIInChI=1S/C25H32N4O4S/c1-18-23(28-25(34-18)27-14-17-31-2)19-6-10-21(11-7-19)32-15-4-3-5-16-33-22-12-8-20(9-13-22)24(26)29-30/h6-13,30H,3-5,14-17H2,1-2H3,(H2,26,29)(H,27,28)
InChIKeyIMBCELWQHOMMTD-UHFFFAOYSA-N
MW484.62 g/mol
LogP4.90
Rot. Bonds14

About N'-hydroxy-4-[5-[4-[2-(2-methoxyethylamino)-5-methyl-1,3-thiazol-4-yl]phenoxy]pentoxy]benzenecarboximidamide

N'-hydroxy-4-[5-[4-[2-(2-methoxyethylamino)-5-methyl-1,3-thiazol-4-yl]phenoxy]pentoxy]benzenecarboximidamide (PubChem CID 73016993) has the molecular formula C25H32N4O4S and a molecular weight of 484.62 g/mol. Its IUPAC name is N'-hydroxy-4-[5-[4-[2-(2-methoxyethylamino)-5-methyl-1,3-thiazol-4-yl]phenoxy]pentoxy]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[5-[4-[2-(2-methoxyethylamino)-5-methyl-1,3-thiazol-4-yl]phenoxy]pentoxy]benzenecarboximidamide
PubChem CID73016993
Molecular FormulaC25H32N4O4S
Molecular Weight484.62 g/mol
Exact Mass484.21
IUPAC NameN'-hydroxy-4-[5-[4-[2-(2-methoxyethylamino)-5-methyl-1,3-thiazol-4-yl]phenoxy]pentoxy]benzenecarboximidamide
SMILESCOCCNc1nc(-c2ccc(OCCCCCOc3ccc(C(N)=NO)cc3)cc2)c(C)s1
InChIInChI=1S/C25H32N4O4S/c1-18-23(28-25(34-18)27-14-17-31-2)19-6-10-21(11-7-19)32-15-4-3-5-16-33-22-12-8-20(9-13-22)24(26)29-30/h6-13,30H,3-5,14-17H2,1-2H3,(H2,26,29)(H,27,28)
InChIKeyIMBCELWQHOMMTD-UHFFFAOYSA-N
XLogP4.90
TPSA111.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.62
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-4-[5-[4-[2-(2-methoxyethylamino)-5-methyl-1,3-thiazol-4-yl]phenoxy]pentoxy]benzenecarboximidamide 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'-hydroxy-4-[5-[4-[5-methyl-2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenoxy]pentoxy]benzenecarboximidamide
CID 118249929
4-[5-[4-[5-ethyl-2-(methylamino)-1,3-thiazol-4-yl]phenoxy]pentoxy]-N'-hydroxybenzenecarboximidamide
CID 73063304
N'-hydroxy-4-[5-[4-(5-methyl-2-piperidin-1-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]benzenecarboximidamide
CID 87149096
4-[5-[4-[2-[benzyl(methyl)amino]-5-methyl-1,3-thiazol-4-yl]phenoxy]pentoxy]-N'-hydroxybenzenecarboximidamide
CID 46852308
4-[5-[4-[5-(dimethylamino)-2-methyl-1,3-thiazol-4-yl]phenoxy]pentoxy]-N'-hydroxybenzenecarboximidamide
CID 25182841
N-(2-methoxyethyl)-5-methyl-4-phenyl-1,3-thiazol-2-amine
CID 2462730
4-[5-[4-[5-benzyl-2-(methylamino)-1,3-thiazol-4-yl]phenoxy]pentoxy]-N'-hydroxybenzenecarboximidamide
CID 87149115
4-[5-[4-[5-ethyl-2-(ethylsulfonylamino)-1,3-thiazol-4-yl]phenoxy]pentoxy]-N'-hydroxybenzenecarboximidamide
CID 72987146
4-[5-[4-[5-ethyl-2-(pyridin-3-ylmethylamino)-1,3-thiazol-4-yl]phenoxy]pentoxy]-N'-hydroxybenzenecarboximidamide
CID 91299767
N'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide
CID 76883900
N-[4-[2-(2-methoxyethylamino)-5-methyl-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356331
4-[5-[4-[5-[(cyclopropylamino)methyl]-2-methyl-1,3-thiazol-4-yl]phenoxy]pentoxy]-N'-hydroxybenzenecarboximidamide
CID 25183440

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[5-[4-[2-(2-methoxyethylamino)-5-methyl-1,3-thiazol-4-yl]phenoxy]pentoxy]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[5-[4-[2-(2-methoxyethylamino)-5-methyl-1,3-thiazol-4-yl]phenoxy]pentoxy]benzenecarboximidamide (CID 73016993) is N'-hydroxy-4-[5-[4-[2-(2-methoxyethylamino)-5-methyl-1,3-thiazol-4-yl]phenoxy]pentoxy]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[5-[4-[2-(2-methoxyethylamino)-5-methyl-1,3-thiazol-4-yl]phenoxy]pentoxy]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[5-[4-[2-(2-methoxyethylamino)-5-methyl-1,3-thiazol-4-yl]phenoxy]pentoxy]benzenecarboximidamide is COCCNc1nc(-c2ccc(OCCCCCOc3ccc(C(N)=NO)cc3)cc2)c(C)s1.
What is the InChIKey of N'-hydroxy-4-[5-[4-[2-(2-methoxyethylamino)-5-methyl-1,3-thiazol-4-yl]phenoxy]pentoxy]benzenecarboximidamide?
The InChIKey is IMBCELWQHOMMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4S/c1-18-23(28-25(34-18)27-14-17-31-2)19-6-10-21(11-7-19)32-15-4-3-5-16-33-22-12-8-20(9-13-22)24(26)29-30/h6-13,30H,3-5,14-17H2,1-2H3,(H2,26,29)(H,27,28).
What are the key properties of N'-hydroxy-4-[5-[4-[2-(2-methoxyethylamino)-5-methyl-1,3-thiazol-4-yl]phenoxy]pentoxy]benzenecarboximidamide?
N'-hydroxy-4-[5-[4-[2-(2-methoxyethylamino)-5-methyl-1,3-thiazol-4-yl]phenoxy]pentoxy]benzenecarboximidamide has a molecular weight of 484.62 g/mol, XLogP of 4.90, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[5-[4-[2-(2-methoxyethylamino)-5-methyl-1,3-thiazol-4-yl]phenoxy]pentoxy]benzenecarboximidamide is sourced from PubChem (CID 73016993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).