N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide

C19H23FN4OS — CID 66690247

IUPACN'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(F)c(Oc2snc(C(C)(C)C)c2C#N)cc1C
InChIInChI=1S/C19H23FN4OS/c1-7-24(6)11-22-15-9-14(20)16(8-12(15)2)25-18-13(10-21)17(23-26-18)19(3,4)5/h8-9,11H,7H2,1-6H3/b22-11+
InChIKeyYMENRDXKPDCWCR-SSDVNMTOSA-N
MW374.49 g/mol
LogP5.16
Rot. Bonds5

About N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 66690247) has the molecular formula C19H23FN4OS and a molecular weight of 374.49 g/mol. Its IUPAC name is N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID66690247
Molecular FormulaC19H23FN4OS
Molecular Weight374.49 g/mol
Exact Mass374.16
IUPAC NameN'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(F)c(Oc2snc(C(C)(C)C)c2C#N)cc1C
InChIInChI=1S/C19H23FN4OS/c1-7-24(6)11-22-15-9-14(20)16(8-12(15)2)25-18-13(10-21)17(23-26-18)19(3,4)5/h8-9,11H,7H2,1-6H3/b22-11+
InChIKeyYMENRDXKPDCWCR-SSDVNMTOSA-N
XLogP5.16
TPSA61.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.16
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide (CID 66690247) is N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(F)c(Oc2snc(C(C)(C)C)c2C#N)cc1C.
What is the InChIKey of N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is YMENRDXKPDCWCR-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H23FN4OS/c1-7-24(6)11-22-15-9-14(20)16(8-12(15)2)25-18-13(10-21)17(23-26-18)19(3,4)5/h8-9,11H,7H2,1-6H3/b22-11+.
What are the key properties of N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 374.49 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(3-tert-butyl-4-cyano-1,2-thiazol-5-yl)oxy]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 66690247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).