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

C16H19Cl2N3OS — CID 58214427

IUPACN'-[4-[(4,5-dichloro-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide
SMILESCc1cc(Oc2nc(Cl)c(Cl)s2)c(C)cc1/N=C/N(C)C(C)C
InChIInChI=1S/C16H19Cl2N3OS/c1-9(2)21(5)8-19-12-6-11(4)13(7-10(12)3)22-16-20-14(17)15(18)23-16/h6-9H,1-5H3/b19-8+
InChIKeyBBKXDRBBYIXGDV-UFWORHAWSA-N
MW372.32 g/mol
LogP5.86
Rot. Bonds5

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

N'-[4-[(4,5-dichloro-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide (PubChem CID 58214427) has the molecular formula C16H19Cl2N3OS and a molecular weight of 372.32 g/mol. Its IUPAC name is N'-[4-[(4,5-dichloro-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[(4,5-dichloro-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide
PubChem CID58214427
Molecular FormulaC16H19Cl2N3OS
Molecular Weight372.32 g/mol
Exact Mass371.06
IUPAC NameN'-[4-[(4,5-dichloro-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide
SMILESCc1cc(Oc2nc(Cl)c(Cl)s2)c(C)cc1/N=C/N(C)C(C)C
InChIInChI=1S/C16H19Cl2N3OS/c1-9(2)21(5)8-19-12-6-11(4)13(7-10(12)3)22-16-20-14(17)15(18)23-16/h6-9H,1-5H3/b19-8+
InChIKeyBBKXDRBBYIXGDV-UFWORHAWSA-N
XLogP5.86
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.32
LogP ≤ 55.86
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-[(4,5-dichloro-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide?
The IUPAC name of N'-[4-[(4,5-dichloro-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide (CID 58214427) is N'-[4-[(4,5-dichloro-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide.
What is the SMILES notation for N'-[4-[(4,5-dichloro-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide?
The canonical SMILES for N'-[4-[(4,5-dichloro-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide is Cc1cc(Oc2nc(Cl)c(Cl)s2)c(C)cc1/N=C/N(C)C(C)C.
What is the InChIKey of N'-[4-[(4,5-dichloro-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide?
The InChIKey is BBKXDRBBYIXGDV-UFWORHAWSA-N. The full InChI is InChI=1S/C16H19Cl2N3OS/c1-9(2)21(5)8-19-12-6-11(4)13(7-10(12)3)22-16-20-14(17)15(18)23-16/h6-9H,1-5H3/b19-8+.
What are the key properties of N'-[4-[(4,5-dichloro-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide?
N'-[4-[(4,5-dichloro-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide has a molecular weight of 372.32 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[(4,5-dichloro-1,3-thiazol-2-yl)oxy]-2,5-dimethylphenyl]-N-methyl-N-propan-2-ylmethanimidamide is sourced from PubChem (CID 58214427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).