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

C13H17ClN2OS — CID 64549229

IUPACN-(5-chloro-2-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
SMILESCCC1(C)CSC(Nc2cc(Cl)ccc2OC)=N1
InChIInChI=1S/C13H17ClN2OS/c1-4-13(2)8-18-12(16-13)15-10-7-9(14)5-6-11(10)17-3/h5-7H,4,8H2,1-3H3,(H,15,16)
InChIKeyXWWFPZXMWZFQHV-UHFFFAOYSA-N
MW284.81 g/mol
LogP4.03
Rot. Bonds3

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

N-(5-chloro-2-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine (PubChem CID 64549229) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
PubChem CID64549229
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
SMILESCCC1(C)CSC(Nc2cc(Cl)ccc2OC)=N1
InChIInChI=1S/C13H17ClN2OS/c1-4-13(2)8-18-12(16-13)15-10-7-9(14)5-6-11(10)17-3/h5-7H,4,8H2,1-3H3,(H,15,16)
InChIKeyXWWFPZXMWZFQHV-UHFFFAOYSA-N
XLogP4.03
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164957
N-(5-chloro-2,4-dimethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64551499
N-(5-chloro-2-methylphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64550272
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
N-(5-chloro-2-methoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439866
N-(5-chloroquinolin-8-yl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 116785087
N-(3-chloro-4-methoxyphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
CID 62523628
N-(4-chlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106165018
N-(5-chloro-2-methoxyphenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63296598
N-(2,5-diethoxyphenyl)-4,4-dimethyl-5H-1,3-thiazol-2-amine
CID 43439757
N-(2-methoxy-5-methylphenyl)-3-thia-1-azaspiro[4.4]non-1-en-2-amine
CID 62524507

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine (CID 64549229) is N-(5-chloro-2-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine is CCC1(C)CSC(Nc2cc(Cl)ccc2OC)=N1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
The InChIKey is XWWFPZXMWZFQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS/c1-4-13(2)8-18-12(16-13)15-10-7-9(14)5-6-11(10)17-3/h5-7H,4,8H2,1-3H3,(H,15,16).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
N-(5-chloro-2-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine has a molecular weight of 284.81 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 64549229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).