N'-[4-[[4-cyano-3-(2-fluorophenyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide

C23H23FN4OS — CID 66690180

IUPACN'-[4-[[4-cyano-3-(2-fluorophenyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide
SMILESCc1cc(Oc2snc(-c3ccccc3F)c2C#N)c(C)cc1/N=C/N(C)C(C)C
InChIInChI=1S/C23H23FN4OS/c1-14(2)28(5)13-26-20-10-16(4)21(11-15(20)3)29-23-18(12-25)22(27-30-23)17-8-6-7-9-19(17)24/h6-11,13-14H,1-5H3/b26-13+
InChIKeyNUDKLDUQAYHFQB-LGJNPRDNSA-N
MW422.53 g/mol
LogP6.23
Rot. Bonds6

About N'-[4-[[4-cyano-3-(2-fluorophenyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide

N'-[4-[[4-cyano-3-(2-fluorophenyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide (PubChem CID 66690180) has the molecular formula C23H23FN4OS and a molecular weight of 422.53 g/mol. Its IUPAC name is N'-[4-[[4-cyano-3-(2-fluorophenyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[[4-cyano-3-(2-fluorophenyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide
PubChem CID66690180
Molecular FormulaC23H23FN4OS
Molecular Weight422.53 g/mol
Exact Mass422.16
IUPAC NameN'-[4-[[4-cyano-3-(2-fluorophenyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide
SMILESCc1cc(Oc2snc(-c3ccccc3F)c2C#N)c(C)cc1/N=C/N(C)C(C)C
InChIInChI=1S/C23H23FN4OS/c1-14(2)28(5)13-26-20-10-16(4)21(11-15(20)3)29-23-18(12-25)22(27-30-23)17-8-6-7-9-19(17)24/h6-11,13-14H,1-5H3/b26-13+
InChIKeyNUDKLDUQAYHFQB-LGJNPRDNSA-N
XLogP6.23
TPSA61.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[4-[[4-cyano-3-(2-fluorophenyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[4-[[4-cyano-3-(2-fluorophenyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide?
The IUPAC name of N'-[4-[[4-cyano-3-(2-fluorophenyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide (CID 66690180) is N'-[4-[[4-cyano-3-(2-fluorophenyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide.
What is the SMILES notation for N'-[4-[[4-cyano-3-(2-fluorophenyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide?
The canonical SMILES for N'-[4-[[4-cyano-3-(2-fluorophenyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide is Cc1cc(Oc2snc(-c3ccccc3F)c2C#N)c(C)cc1/N=C/N(C)C(C)C.
What is the InChIKey of N'-[4-[[4-cyano-3-(2-fluorophenyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide?
The InChIKey is NUDKLDUQAYHFQB-LGJNPRDNSA-N. The full InChI is InChI=1S/C23H23FN4OS/c1-14(2)28(5)13-26-20-10-16(4)21(11-15(20)3)29-23-18(12-25)22(27-30-23)17-8-6-7-9-19(17)24/h6-11,13-14H,1-5H3/b26-13+.
What are the key properties of N'-[4-[[4-cyano-3-(2-fluorophenyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide?
N'-[4-[[4-cyano-3-(2-fluorophenyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide has a molecular weight of 422.53 g/mol, XLogP of 6.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[[4-cyano-3-(2-fluorophenyl)-1,2-thiazol-5-yl]oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide is sourced from PubChem (CID 66690180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).