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

C19H26ClN3OS — CID 66690209

IUPACN'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide
SMILESCc1cc(Oc2snc(C(C)C)c2Cl)c(C)cc1/N=C/N(C)C(C)C
InChIInChI=1S/C19H26ClN3OS/c1-11(2)18-17(20)19(25-22-18)24-16-9-13(5)15(8-14(16)6)21-10-23(7)12(3)4/h8-12H,1-7H3/b21-10+
InChIKeyCUYSAPWPIRJGBC-UFFVCSGVSA-N
MW379.96 g/mol
LogP6.33
Rot. Bonds6

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

N'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide (PubChem CID 66690209) has the molecular formula C19H26ClN3OS and a molecular weight of 379.96 g/mol. Its IUPAC name is N'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide
PubChem CID66690209
Molecular FormulaC19H26ClN3OS
Molecular Weight379.96 g/mol
Exact Mass379.15
IUPAC NameN'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide
SMILESCc1cc(Oc2snc(C(C)C)c2Cl)c(C)cc1/N=C/N(C)C(C)C
InChIInChI=1S/C19H26ClN3OS/c1-11(2)18-17(20)19(25-22-18)24-16-9-13(5)15(8-14(16)6)21-10-23(7)12(3)4/h8-12H,1-7H3/b21-10+
InChIKeyCUYSAPWPIRJGBC-UFFVCSGVSA-N
XLogP6.33
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.96
LogP ≤ 56.33
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-methyl-N-propan-2-ylmethanimidamide?
The IUPAC name of N'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide (CID 66690209) is N'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide.
What is the SMILES notation for N'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide?
The canonical SMILES for N'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide is Cc1cc(Oc2snc(C(C)C)c2Cl)c(C)cc1/N=C/N(C)C(C)C.
What is the InChIKey of N'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide?
The InChIKey is CUYSAPWPIRJGBC-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H26ClN3OS/c1-11(2)18-17(20)19(25-22-18)24-16-9-13(5)15(8-14(16)6)21-10-23(7)12(3)4/h8-12H,1-7H3/b21-10+.
What are the key properties of N'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide?
N'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide has a molecular weight of 379.96 g/mol, XLogP of 6.33, 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-methyl-N-propan-2-ylmethanimidamide is sourced from PubChem (CID 66690209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).