N-ethyl-5-(ethylaminomethyl)-4-methyl-N-phenyl-1,3-thiazol-2-amine

C15H21N3S — CID 55112610

IUPACN-ethyl-5-(ethylaminomethyl)-4-methyl-N-phenyl-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(CC)c2ccccc2)nc1C
InChIInChI=1S/C15H21N3S/c1-4-16-11-14-12(3)17-15(19-14)18(5-2)13-9-7-6-8-10-13/h6-10,16H,4-5,11H2,1-3H3
InChIKeyNOKVZZLXZHOOEE-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.72
Rot. Bonds6

About N-ethyl-5-(ethylaminomethyl)-4-methyl-N-phenyl-1,3-thiazol-2-amine

N-ethyl-5-(ethylaminomethyl)-4-methyl-N-phenyl-1,3-thiazol-2-amine (PubChem CID 55112610) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-ethyl-5-(ethylaminomethyl)-4-methyl-N-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(ethylaminomethyl)-4-methyl-N-phenyl-1,3-thiazol-2-amine
PubChem CID55112610
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-ethyl-5-(ethylaminomethyl)-4-methyl-N-phenyl-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(CC)c2ccccc2)nc1C
InChIInChI=1S/C15H21N3S/c1-4-16-11-14-12(3)17-15(19-14)18(5-2)13-9-7-6-8-10-13/h6-10,16H,4-5,11H2,1-3H3
InChIKeyNOKVZZLXZHOOEE-UHFFFAOYSA-N
XLogP3.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-4-methyl-1,3-thiazol-2-amine
CID 62768210
N,4-diethyl-N-phenyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62766568
N-ethyl-N-(4-fluorophenyl)-4-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62768912
5-(ethylaminomethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 46785712
5-(ethylaminomethyl)-N-(4-ethylphenyl)-N,4-dimethyl-1,3-thiazol-2-amine
CID 62769288
N-(3,5-dimethylphenyl)-5-(ethylaminomethyl)-N,4-dimethyl-1,3-thiazol-2-amine
CID 62767389
5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine
CID 112666477
5-(ethylaminomethyl)-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
CID 55117377
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62402688
N-[[2-(2-bromophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62403555
N,4-dimethyl-N-(2-methylphenyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62766679
5-(ethylaminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine
CID 79489574

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(ethylaminomethyl)-4-methyl-N-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-5-(ethylaminomethyl)-4-methyl-N-phenyl-1,3-thiazol-2-amine (CID 55112610) is N-ethyl-5-(ethylaminomethyl)-4-methyl-N-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-5-(ethylaminomethyl)-4-methyl-N-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-5-(ethylaminomethyl)-4-methyl-N-phenyl-1,3-thiazol-2-amine is CCNCc1sc(N(CC)c2ccccc2)nc1C.
What is the InChIKey of N-ethyl-5-(ethylaminomethyl)-4-methyl-N-phenyl-1,3-thiazol-2-amine?
The InChIKey is NOKVZZLXZHOOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-4-16-11-14-12(3)17-15(19-14)18(5-2)13-9-7-6-8-10-13/h6-10,16H,4-5,11H2,1-3H3.
What are the key properties of N-ethyl-5-(ethylaminomethyl)-4-methyl-N-phenyl-1,3-thiazol-2-amine?
N-ethyl-5-(ethylaminomethyl)-4-methyl-N-phenyl-1,3-thiazol-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(ethylaminomethyl)-4-methyl-N-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 55112610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).