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

C13H17ClN2S — CID 64550272

IUPACN-(5-chloro-2-methylphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
SMILESCCC1(C)CSC(Nc2cc(Cl)ccc2C)=N1
InChIInChI=1S/C13H17ClN2S/c1-4-13(3)8-17-12(16-13)15-11-7-10(14)6-5-9(11)2/h5-7H,4,8H2,1-3H3,(H,15,16)
InChIKeyFMCXUFDFRXUVNE-UHFFFAOYSA-N
MW268.81 g/mol
LogP4.33
Rot. Bonds2

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

N-(5-chloro-2-methylphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine (PubChem CID 64550272) has the molecular formula C13H17ClN2S and a molecular weight of 268.81 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
PubChem CID64550272
Molecular FormulaC13H17ClN2S
Molecular Weight268.81 g/mol
Exact Mass268.08
IUPAC NameN-(5-chloro-2-methylphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
SMILESCCC1(C)CSC(Nc2cc(Cl)ccc2C)=N1
InChIInChI=1S/C13H17ClN2S/c1-4-13(3)8-17-12(16-13)15-11-7-10(14)6-5-9(11)2/h5-7H,4,8H2,1-3H3,(H,15,16)
InChIKeyFMCXUFDFRXUVNE-UHFFFAOYSA-N
XLogP4.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64549229
N-(2,5-dichlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164707
N-(4-chloro-2-iodophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106166842
4-ethyl-N-(5-fluoro-2-methylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106165078
N-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64551499
N-(5-chloro-2-methylphenyl)-7-methyl-3-thia-1-azaspiro[4.5]dec-1-en-2-amine
CID 62526952
N-(4-chlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106165018
N-(2,5-difluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164877
N-(5-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440055
N-(5-fluoro-2-methylphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 43439978
N-(3-bromophenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64550890
4-ethyl-4-methyl-N-(4-methylsulfonylphenyl)-5H-1,3-thiazol-2-amine
CID 64550060

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine (CID 64550272) is N-(5-chloro-2-methylphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine is CCC1(C)CSC(Nc2cc(Cl)ccc2C)=N1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
The InChIKey is FMCXUFDFRXUVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2S/c1-4-13(3)8-17-12(16-13)15-11-7-10(14)6-5-9(11)2/h5-7H,4,8H2,1-3H3,(H,15,16).
What are the key properties of N-(5-chloro-2-methylphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
N-(5-chloro-2-methylphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine has a molecular weight of 268.81 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 64550272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).