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

C11H21N3S2 — CID 112666477

IUPAC5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)CCSC)nc1C
InChIInChI=1S/C11H21N3S2/c1-5-12-8-10-9(2)13-11(16-10)14(3)6-7-15-4/h12H,5-8H2,1-4H3
InChIKeyQVXRGNTZXXNQBQ-UHFFFAOYSA-N
MW259.44 g/mol
LogP2.36
Rot. Bonds7

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

5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine (PubChem CID 112666477) has the molecular formula C11H21N3S2 and a molecular weight of 259.44 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine
PubChem CID112666477
Molecular FormulaC11H21N3S2
Molecular Weight259.44 g/mol
Exact Mass259.12
IUPAC Name5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine
SMILESCCNCc1sc(N(C)CCSC)nc1C
InChIInChI=1S/C11H21N3S2/c1-5-12-8-10-9(2)13-11(16-10)14(3)6-7-15-4/h12H,5-8H2,1-4H3
InChIKeyQVXRGNTZXXNQBQ-UHFFFAOYSA-N
XLogP2.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylaminomethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 46785712
N,N,4-trimethyl-5-[(2-methylsulfanylethylamino)methyl]-1,3-thiazol-2-amine
CID 115600609
N-methyl-5-[(2-methylpropylamino)methyl]-N-(2-methylsulfanylethyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 115987930
N'-[4-ethyl-5-(ethylaminomethyl)-1,3-thiazol-2-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63727761
N-(3,5-dimethylphenyl)-5-(ethylaminomethyl)-N,4-dimethyl-1,3-thiazol-2-amine
CID 62767389
N-ethyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62764514
5-(ethylaminomethyl)-N,6-dimethyl-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 112665216
2-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]-N,N-dimethylethanamine
CID 82193761
N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 81067220
5-(ethylaminomethyl)-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
CID 55117377
N-(2-ethoxyethyl)-4-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 81067888
5-(ethylaminomethyl)-N-(4-ethylphenyl)-N,4-dimethyl-1,3-thiazol-2-amine
CID 62769288

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine (CID 112666477) is 5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine is CCNCc1sc(N(C)CCSC)nc1C.
What is the InChIKey of 5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine?
The InChIKey is QVXRGNTZXXNQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S2/c1-5-12-8-10-9(2)13-11(16-10)14(3)6-7-15-4/h12H,5-8H2,1-4H3.
What are the key properties of 5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine?
5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine has a molecular weight of 259.44 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N,4-dimethyl-N-(2-methylsulfanylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 112666477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).