N-(3,5-dimethylphenyl)-5-(ethylaminomethyl)-N,4-dimethyl-1,3-thiazol-2-amine

C16H23N3S — CID 62767389

IUPACN-(3,5-dimethylphenyl)-5-(ethylaminomethyl)-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)c2cc(C)cc(C)c2)nc1C
InChIInChI=1S/C16H23N3S/c1-6-17-10-15-13(4)18-16(20-15)19(5)14-8-11(2)7-12(3)9-14/h7-9,17H,6,10H2,1-5H3
InChIKeyRWTORJGWZHHMLQ-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.95
Rot. Bonds5

About N-(3,5-dimethylphenyl)-5-(ethylaminomethyl)-N,4-dimethyl-1,3-thiazol-2-amine

N-(3,5-dimethylphenyl)-5-(ethylaminomethyl)-N,4-dimethyl-1,3-thiazol-2-amine (PubChem CID 62767389) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-5-(ethylaminomethyl)-N,4-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-5-(ethylaminomethyl)-N,4-dimethyl-1,3-thiazol-2-amine
PubChem CID62767389
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-(3,5-dimethylphenyl)-5-(ethylaminomethyl)-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)c2cc(C)cc(C)c2)nc1C
InChIInChI=1S/C16H23N3S/c1-6-17-10-15-13(4)18-16(20-15)19(5)14-8-11(2)7-12(3)9-14/h7-9,17H,6,10H2,1-5H3
InChIKeyRWTORJGWZHHMLQ-UHFFFAOYSA-N
XLogP3.95
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(ethylaminomethyl)-N-(4-ethylphenyl)-N,4-dimethyl-1,3-thiazol-2-amine
CID 62769288
5-(ethylaminomethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 46785712
5-(ethylaminomethyl)-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
CID 55117377
N-ethyl-5-(ethylaminomethyl)-4-methyl-N-phenyl-1,3-thiazol-2-amine
CID 55112610
5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 62768224
5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine
CID 112666477
N-(3-fluorophenyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62767216
N,4-dimethyl-N-(2-methylphenyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62766679
N-ethyl-5-(ethylaminomethyl)-N-(2-fluorophenyl)-4-methyl-1,3-thiazol-2-amine
CID 62768210
ethyl 5-methyl-2-(N,3,5-trimethylanilino)-1,3-thiazole-4-carboxylate
CID 116526687
5-(ethylaminomethyl)-4-methyl-N-(2-methylpropyl)-N-pentan-3-yl-1,3-thiazol-2-amine
CID 79489574
1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol
CID 111421913

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-5-(ethylaminomethyl)-N,4-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-5-(ethylaminomethyl)-N,4-dimethyl-1,3-thiazol-2-amine (CID 62767389) is N-(3,5-dimethylphenyl)-5-(ethylaminomethyl)-N,4-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-5-(ethylaminomethyl)-N,4-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-5-(ethylaminomethyl)-N,4-dimethyl-1,3-thiazol-2-amine is CCNCc1sc(N(C)c2cc(C)cc(C)c2)nc1C.
What is the InChIKey of N-(3,5-dimethylphenyl)-5-(ethylaminomethyl)-N,4-dimethyl-1,3-thiazol-2-amine?
The InChIKey is RWTORJGWZHHMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-6-17-10-15-13(4)18-16(20-15)19(5)14-8-11(2)7-12(3)9-14/h7-9,17H,6,10H2,1-5H3.
What are the key properties of N-(3,5-dimethylphenyl)-5-(ethylaminomethyl)-N,4-dimethyl-1,3-thiazol-2-amine?
N-(3,5-dimethylphenyl)-5-(ethylaminomethyl)-N,4-dimethyl-1,3-thiazol-2-amine has a molecular weight of 289.45 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-5-(ethylaminomethyl)-N,4-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62767389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).