N-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine

C14H19ClN2O2S — CID 64551499

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
SMILESCCC1(C)CSC(Nc2cc(Cl)c(OC)cc2OC)=N1
InChIInChI=1S/C14H19ClN2O2S/c1-5-14(2)8-20-13(17-14)16-10-6-9(15)11(18-3)7-12(10)19-4/h6-7H,5,8H2,1-4H3,(H,16,17)
InChIKeyIAQYEUHFRJGVQL-UHFFFAOYSA-N
MW314.84 g/mol
LogP4.04
Rot. Bonds4

About N-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine

N-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine (PubChem CID 64551499) has the molecular formula C14H19ClN2O2S and a molecular weight of 314.84 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
PubChem CID64551499
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.84 g/mol
Exact Mass314.09
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
SMILESCCC1(C)CSC(Nc2cc(Cl)c(OC)cc2OC)=N1
InChIInChI=1S/C14H19ClN2O2S/c1-5-14(2)8-20-13(17-14)16-10-6-9(15)11(18-3)7-12(10)19-4/h6-7H,5,8H2,1-4H3,(H,16,17)
InChIKeyIAQYEUHFRJGVQL-UHFFFAOYSA-N
XLogP4.04
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64549229
N-(4-chloro-3-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 107622339
N-(5-bromo-2-chlorophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64550701
4-ethyl-N-(2-ethylphenyl)-4-methyl-5H-1,3-thiazol-2-amine
CID 64551922
N-(3-chloro-4-methoxyphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
CID 62523628
4,4-diethyl-N-(2,4,5-trichlorophenyl)-5H-1,3-thiazol-2-amine
CID 55081372
5-chloro-N-(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)-2,1,3-benzothiadiazol-4-amine
CID 65475691
N-(2,5-dichlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164707
4-ethyl-N-(3-iodophenyl)-4-methyl-5H-1,3-thiazol-2-amine
CID 64556048
N-(2,4-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 43382052
5-chloro-2,4-dimethoxy-N-methylaniline
CID 28576065
N-(2-methoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 2363426

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine (CID 64551499) is N-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine is CCC1(C)CSC(Nc2cc(Cl)c(OC)cc2OC)=N1.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
The InChIKey is IAQYEUHFRJGVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2S/c1-5-14(2)8-20-13(17-14)16-10-6-9(15)11(18-3)7-12(10)19-4/h6-7H,5,8H2,1-4H3,(H,16,17).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
N-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine has a molecular weight of 314.84 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 64551499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).