5-[4-(3-iodophenoxy)anilino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide

C19H19IN4O2S — CID 59862544

IUPAC5-[4-(3-iodophenoxy)anilino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide
SMILESCC(C)/N=C(\N)c1c(Nc2ccc(Oc3cccc(I)c3)cc2)s[nH]c1=O
InChIInChI=1S/C19H19IN4O2S/c1-11(2)22-17(21)16-18(25)24-27-19(16)23-13-6-8-14(9-7-13)26-15-5-3-4-12(20)10-15/h3-11,23H,1-2H3,(H2,21,22)(H,24,25)
InChIKeyWRUMIHFFUCJXCO-UHFFFAOYSA-N
MW494.36 g/mol
LogP4.69
Rot. Bonds6

About 5-[4-(3-iodophenoxy)anilino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide

5-[4-(3-iodophenoxy)anilino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide (PubChem CID 59862544) has the molecular formula C19H19IN4O2S and a molecular weight of 494.36 g/mol. Its IUPAC name is 5-[4-(3-iodophenoxy)anilino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide.

Molecular Properties

Compound Name5-[4-(3-iodophenoxy)anilino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide
PubChem CID59862544
Molecular FormulaC19H19IN4O2S
Molecular Weight494.36 g/mol
Exact Mass494.03
IUPAC Name5-[4-(3-iodophenoxy)anilino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide
SMILESCC(C)/N=C(\N)c1c(Nc2ccc(Oc3cccc(I)c3)cc2)s[nH]c1=O
InChIInChI=1S/C19H19IN4O2S/c1-11(2)22-17(21)16-18(25)24-27-19(16)23-13-6-8-14(9-7-13)26-15-5-3-4-12(20)10-15/h3-11,23H,1-2H3,(H2,21,22)(H,24,25)
InChIKeyWRUMIHFFUCJXCO-UHFFFAOYSA-N
XLogP4.69
TPSA92.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.36
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-[4-(3-iodophenoxy)anilino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide 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

3-oxo-N'-propan-2-yl-5-(4-pyrimidin-5-yloxyanilino)-1,2-thiazole-4-carboximidamide
CID 59798233
5-[4-[(6-methyl-3-pyridinyl)oxy]anilino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide
CID 59797967
5-[4-(2-chloro-4-fluorophenoxy)anilino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide
CID 59797946
N'-[(2S)-1-hydroxy-4-methylpentan-2-yl]-3-oxo-5-(4-phenoxyanilino)-1,2-thiazole-4-carboximidamide
CID 68676408
N-[amino-[3-oxo-5-(4-phenoxyanilino)-1,2-thiazol-4-yl]methylidene]acetamide
CID 59798026
5-[3-chloro-4-(2,3-dichlorophenoxy)anilino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide
CID 59135046
5-(3-fluoro-4-phenoxyanilino)-N'-(1-hydroxypropan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide
CID 59797956
N'-(4-methylphenyl)sulfonyl-3-oxo-5-(4-phenoxyanilino)-1,2-thiazole-4-carboximidamide
CID 59797922
5-[4-(2,5-dichlorophenoxy)-2-methylanilino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide
CID 59798247
N'-(1-hydroxypropan-2-yl)-5-[3-methyl-4-[4-(trifluoromethyl)phenoxy]anilino]-3-oxo-1,2-thiazole-4-carboximidamide
CID 59798179
3-oxo-N'-(oxolan-2-ylmethyl)-5-(4-phenoxyanilino)-1,2-thiazole-4-carboximidamide
CID 59135043
ethyl 3-[[4-[N'-(2-hydroxypropyl)carbamimidoyl]-3-oxo-1,2-thiazol-5-yl]amino]benzoate
CID 11996347

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-iodophenoxy)anilino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide?
The IUPAC name of 5-[4-(3-iodophenoxy)anilino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide (CID 59862544) is 5-[4-(3-iodophenoxy)anilino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide.
What is the SMILES notation for 5-[4-(3-iodophenoxy)anilino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide?
The canonical SMILES for 5-[4-(3-iodophenoxy)anilino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide is CC(C)/N=C(\N)c1c(Nc2ccc(Oc3cccc(I)c3)cc2)s[nH]c1=O.
What is the InChIKey of 5-[4-(3-iodophenoxy)anilino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide?
The InChIKey is WRUMIHFFUCJXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19IN4O2S/c1-11(2)22-17(21)16-18(25)24-27-19(16)23-13-6-8-14(9-7-13)26-15-5-3-4-12(20)10-15/h3-11,23H,1-2H3,(H2,21,22)(H,24,25).
What are the key properties of 5-[4-(3-iodophenoxy)anilino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide?
5-[4-(3-iodophenoxy)anilino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide has a molecular weight of 494.36 g/mol, XLogP of 4.69, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-iodophenoxy)anilino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide is sourced from PubChem (CID 59862544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).