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

C17H22ClN3OS — CID 66691043

IUPACN'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
SMILESCc1cc(Oc2snc(C(C)C)c2Cl)c(C)cc1/N=C/N(C)C
InChIInChI=1S/C17H22ClN3OS/c1-10(2)16-15(18)17(23-20-16)22-14-8-11(3)13(7-12(14)4)19-9-21(5)6/h7-10H,1-6H3/b19-9+
InChIKeyAPUDIVWLMFIATH-DJKKODMXSA-N
MW351.90 g/mol
LogP5.55
Rot. Bonds5

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

N'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide (PubChem CID 66691043) has the molecular formula C17H22ClN3OS and a molecular weight of 351.90 g/mol. Its IUPAC name is N'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
PubChem CID66691043
Molecular FormulaC17H22ClN3OS
Molecular Weight351.90 g/mol
Exact Mass351.12
IUPAC NameN'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide
SMILESCc1cc(Oc2snc(C(C)C)c2Cl)c(C)cc1/N=C/N(C)C
InChIInChI=1S/C17H22ClN3OS/c1-10(2)16-15(18)17(23-20-16)22-14-8-11(3)13(7-12(14)4)19-9-21(5)6/h7-10H,1-6H3/b19-9+
InChIKeyAPUDIVWLMFIATH-DJKKODMXSA-N
XLogP5.55
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.90
LogP ≤ 55.55
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,N-dimethylmethanimidamide?
The IUPAC name of N'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide (CID 66691043) is N'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide is Cc1cc(Oc2snc(C(C)C)c2Cl)c(C)cc1/N=C/N(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,N-dimethylmethanimidamide?
The InChIKey is APUDIVWLMFIATH-DJKKODMXSA-N. The full InChI is InChI=1S/C17H22ClN3OS/c1-10(2)16-15(18)17(23-20-16)22-14-8-11(3)13(7-12(14)4)19-9-21(5)6/h7-10H,1-6H3/b19-9+.
What are the key properties of N'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide?
N'-[4-[(4-chloro-3-propan-2-yl-1,2-thiazol-5-yl)oxy]-2,5-dimethylphenyl]-N,N-dimethylmethanimidamide has a molecular weight of 351.90 g/mol, XLogP of 5.55, 5 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,N-dimethylmethanimidamide is sourced from PubChem (CID 66691043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).