N-(4-cyanophenyl)-2-(4-iodophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C19H14IN3O2S — CID 51133637

IUPACN-(4-cyanophenyl)-2-(4-iodophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(N(C(=O)COc2ccc(I)cc2)c2ccc(C#N)cc2)n1
InChIInChI=1S/C19H14IN3O2S/c1-13-12-26-19(22-13)23(16-6-2-14(10-21)3-7-16)18(24)11-25-17-8-4-15(20)5-9-17/h2-9,12H,11H2,1H3
InChIKeyXAUXYEVGHVWYRY-UHFFFAOYSA-N
MW475.31 g/mol
LogP4.67
Rot. Bonds5

About N-(4-cyanophenyl)-2-(4-iodophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide

N-(4-cyanophenyl)-2-(4-iodophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 51133637) has the molecular formula C19H14IN3O2S and a molecular weight of 475.31 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(4-iodophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(4-iodophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID51133637
Molecular FormulaC19H14IN3O2S
Molecular Weight475.31 g/mol
Exact Mass474.99
IUPAC NameN-(4-cyanophenyl)-2-(4-iodophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(N(C(=O)COc2ccc(I)cc2)c2ccc(C#N)cc2)n1
InChIInChI=1S/C19H14IN3O2S/c1-13-12-26-19(22-13)23(16-6-2-14(10-21)3-7-16)18(24)11-25-17-8-4-15(20)5-9-17/h2-9,12H,11H2,1H3
InChIKeyXAUXYEVGHVWYRY-UHFFFAOYSA-N
XLogP4.67
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.31
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 7917594
2-(4-cyanophenoxy)-N-methyl-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 47402694
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 27872001
2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 46586329
2-(2-ethoxy-3-propylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-ylacetamide
CID 167266698
2-(2-methoxy-4-prop-2-enylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 16549645
4-(2-ethoxyphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylbutanamide
CID 112765245
2-(4-cyano-N-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 80568771
2-(4-cyanophenoxy)-N-methyl-N-(2-methylsulfanylethyl)acetamide
CID 112698009
N-[(5-bromothiophen-3-yl)methyl]-2-(4-cyanophenoxy)-N-methylacetamide
CID 61394479
N-(4-methyl-1,3-thiazol-2-yl)-N-phenylhexanamide
CID 78778253
2-(4-methylphenoxy)-N-(4-methylphenyl)-N-phenylacetamide
CID 70115450

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(4-iodophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(4-iodophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 51133637) is N-(4-cyanophenyl)-2-(4-iodophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(4-iodophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(4-iodophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(N(C(=O)COc2ccc(I)cc2)c2ccc(C#N)cc2)n1.
What is the InChIKey of N-(4-cyanophenyl)-2-(4-iodophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is XAUXYEVGHVWYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14IN3O2S/c1-13-12-26-19(22-13)23(16-6-2-14(10-21)3-7-16)18(24)11-25-17-8-4-15(20)5-9-17/h2-9,12H,11H2,1H3.
What are the key properties of N-(4-cyanophenyl)-2-(4-iodophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
N-(4-cyanophenyl)-2-(4-iodophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 475.31 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(4-iodophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 51133637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).