N'-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide

C20H20ClN3OS — CID 22481236

IUPACN'-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
SMILESCc1cc(Oc2nc(-c3ccccc3Cl)cs2)c(C)cc1/N=C/N(C)C
InChIInChI=1S/C20H20ClN3OS/c1-13-10-19(14(2)9-17(13)22-12-24(3)4)25-20-23-18(11-26-20)15-7-5-6-8-16(15)21/h5-12H,1-4H3/b22-12+
InChIKeyFBPWELMUOHGIJX-WSDLNYQXSA-N
MW385.92 g/mol
LogP6.09
Rot. Bonds5

About N'-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide

N'-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide (PubChem CID 22481236) has the molecular formula C20H20ClN3OS and a molecular weight of 385.92 g/mol. Its IUPAC name is N'-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
PubChem CID22481236
Molecular FormulaC20H20ClN3OS
Molecular Weight385.92 g/mol
Exact Mass385.10
IUPAC NameN'-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
SMILESCc1cc(Oc2nc(-c3ccccc3Cl)cs2)c(C)cc1/N=C/N(C)C
InChIInChI=1S/C20H20ClN3OS/c1-13-10-19(14(2)9-17(13)22-12-24(3)4)25-20-23-18(11-26-20)15-7-5-6-8-16(15)21/h5-12H,1-4H3/b22-12+
InChIKeyFBPWELMUOHGIJX-WSDLNYQXSA-N
XLogP6.09
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.92
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide (CID 22481236) is N'-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide is Cc1cc(Oc2nc(-c3ccccc3Cl)cs2)c(C)cc1/N=C/N(C)C.
What is the InChIKey of N'-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide?
The InChIKey is FBPWELMUOHGIJX-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H20ClN3OS/c1-13-10-19(14(2)9-17(13)22-12-24(3)4)25-20-23-18(11-26-20)15-7-5-6-8-16(15)21/h5-12H,1-4H3/b22-12+.
What are the key properties of N'-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide?
N'-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide has a molecular weight of 385.92 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 22481236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).