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

C19H26ClN3OS — CID 66690210

IUPACN-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N',2-dimethylpropanimidamide
SMILESC/N=C(/Nc1cc(C)c(Oc2snc(C(C)C)c2Cl)cc1C)C(C)C
InChIInChI=1S/C19H26ClN3OS/c1-10(2)17-16(20)19(25-23-17)24-15-9-12(5)14(8-13(15)6)22-18(21-7)11(3)4/h8-11H,1-7H3,(H,21,22)
InChIKeyCMJHGFWYAIWNCS-UHFFFAOYSA-N
MW379.96 g/mol
LogP6.43
Rot. Bonds5

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

N-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N',2-dimethylpropanimidamide (PubChem CID 66690210) 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',2-dimethylpropanimidamide.

Molecular Properties

Compound NameN-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N',2-dimethylpropanimidamide
PubChem CID66690210
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',2-dimethylpropanimidamide
SMILESC/N=C(/Nc1cc(C)c(Oc2snc(C(C)C)c2Cl)cc1C)C(C)C
InChIInChI=1S/C19H26ClN3OS/c1-10(2)17-16(20)19(25-23-17)24-15-9-12(5)14(8-13(15)6)22-18(21-7)11(3)4/h8-11H,1-7H3,(H,21,22)
InChIKeyCMJHGFWYAIWNCS-UHFFFAOYSA-N
XLogP6.43
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.96
LogP ≤ 56.43
H-Bond Donors ≤ 51
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',2-dimethylpropanimidamide?
The IUPAC name of N-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N',2-dimethylpropanimidamide (CID 66690210) is N-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N',2-dimethylpropanimidamide.
What is the SMILES notation for N-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N',2-dimethylpropanimidamide?
The canonical SMILES for N-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N',2-dimethylpropanimidamide is C/N=C(/Nc1cc(C)c(Oc2snc(C(C)C)c2Cl)cc1C)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',2-dimethylpropanimidamide?
The InChIKey is CMJHGFWYAIWNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3OS/c1-10(2)17-16(20)19(25-23-17)24-15-9-12(5)14(8-13(15)6)22-18(21-7)11(3)4/h8-11H,1-7H3,(H,21,22).
What are the key properties of N-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N',2-dimethylpropanimidamide?
N-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N',2-dimethylpropanimidamide has a molecular weight of 379.96 g/mol, XLogP of 6.43, 5 rotatable bonds, 1 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',2-dimethylpropanimidamide is sourced from PubChem (CID 66690210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).