N'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide

C18H24ClN3OS — CID 66690744

IUPACN'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Oc2snc(C(C)C)c2Cl)cc1C
InChIInChI=1S/C18H24ClN3OS/c1-7-22(6)10-20-14-8-13(5)15(9-12(14)4)23-18-16(19)17(11(2)3)21-24-18/h8-11H,7H2,1-6H3/b20-10+
InChIKeyNDIADPKWTRPSEG-KEBDBYFISA-N
MW365.93 g/mol
LogP5.94
Rot. Bonds6

About N'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 66690744) has the molecular formula C18H24ClN3OS and a molecular weight of 365.93 g/mol. Its IUPAC name is N'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID66690744
Molecular FormulaC18H24ClN3OS
Molecular Weight365.93 g/mol
Exact Mass365.13
IUPAC NameN'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Oc2snc(C(C)C)c2Cl)cc1C
InChIInChI=1S/C18H24ClN3OS/c1-7-22(6)10-20-14-8-13(5)15(9-12(14)4)23-18-16(19)17(11(2)3)21-24-18/h8-11H,7H2,1-6H3/b20-10+
InChIKeyNDIADPKWTRPSEG-KEBDBYFISA-N
XLogP5.94
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.93
LogP ≤ 55.94
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-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide (CID 66690744) is N'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(Oc2snc(C(C)C)c2Cl)cc1C.
What is the InChIKey of N'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is NDIADPKWTRPSEG-KEBDBYFISA-N. The full InChI is InChI=1S/C18H24ClN3OS/c1-7-22(6)10-20-14-8-13(5)15(9-12(14)4)23-18-16(19)17(11(2)3)21-24-18/h8-11H,7H2,1-6H3/b20-10+.
What are the key properties of N'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 365.93 g/mol, XLogP of 5.94, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 66690744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).