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

C13H17ClN2OS — CID 107622339

IUPACN-(4-chloro-3-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
SMILESCCC1(C)CSC(Nc2ccc(Cl)c(OC)c2)=N1
InChIInChI=1S/C13H17ClN2OS/c1-4-13(2)8-18-12(16-13)15-9-5-6-10(14)11(7-9)17-3/h5-7H,4,8H2,1-3H3,(H,15,16)
InChIKeyONLXFNUHVKFSRD-UHFFFAOYSA-N
MW284.81 g/mol
LogP4.03
Rot. Bonds3

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

N-(4-chloro-3-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine (PubChem CID 107622339) has the molecular formula C13H17ClN2OS and a molecular weight of 284.81 g/mol. Its IUPAC name is N-(4-chloro-3-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-chloro-3-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
PubChem CID107622339
Molecular FormulaC13H17ClN2OS
Molecular Weight284.81 g/mol
Exact Mass284.08
IUPAC NameN-(4-chloro-3-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
SMILESCCC1(C)CSC(Nc2ccc(Cl)c(OC)c2)=N1
InChIInChI=1S/C13H17ClN2OS/c1-4-13(2)8-18-12(16-13)15-9-5-6-10(14)11(7-9)17-3/h5-7H,4,8H2,1-3H3,(H,15,16)
InChIKeyONLXFNUHVKFSRD-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-2,4-dimethoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64551499
N-(5-chloro-2-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64549229
N-(3-chloro-4-methoxyphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
CID 62523628
N-(4-chloro-3-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106165502
4-ethyl-N-(3-iodophenyl)-4-methyl-5H-1,3-thiazol-2-amine
CID 64556048
4-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzamide
CID 64551710
5-chloro-N-(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)-2,1,3-benzothiadiazol-4-amine
CID 65475691
N-(5-chloro-2-methoxyphenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106164957
N-(4-chlorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106165018
N-(5-chloro-2-methylphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 64550272
N-(5-chloroquinolin-8-yl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine
CID 116785087
3-[(4-ethyl-4-methyl-5H-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 64549640

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-(4-chloro-3-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine (CID 107622339) is N-(4-chloro-3-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-chloro-3-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-chloro-3-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine is CCC1(C)CSC(Nc2ccc(Cl)c(OC)c2)=N1.
What is the InChIKey of N-(4-chloro-3-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
The InChIKey is ONLXFNUHVKFSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS/c1-4-13(2)8-18-12(16-13)15-9-5-6-10(14)11(7-9)17-3/h5-7H,4,8H2,1-3H3,(H,15,16).
What are the key properties of N-(4-chloro-3-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine?
N-(4-chloro-3-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-(4-chloro-3-methoxyphenyl)-4-ethyl-4-methyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 107622339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).