N-ethyl-N-[[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]ethanamine

C11H21N3S — CID 82193737

IUPACN-ethyl-N-[[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCN(CC)Cc1nc(C)c(CNC)s1
InChIInChI=1S/C11H21N3S/c1-5-14(6-2)8-11-13-9(3)10(15-11)7-12-4/h12H,5-8H2,1-4H3
InChIKeyPXDOQFLQXAJIDO-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.01
Rot. Bonds6

About N-ethyl-N-[[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]ethanamine

N-ethyl-N-[[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]ethanamine (PubChem CID 82193737) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N-ethyl-N-[[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]ethanamine
PubChem CID82193737
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN-ethyl-N-[[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]ethanamine
SMILESCCN(CC)Cc1nc(C)c(CNC)s1
InChIInChI=1S/C11H21N3S/c1-5-14(6-2)8-11-13-9(3)10(15-11)7-12-4/h12H,5-8H2,1-4H3
InChIKeyPXDOQFLQXAJIDO-UHFFFAOYSA-N
XLogP2.01
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[4-methyl-2-(propoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 62403199
N-methyl-1-[4-methyl-2-(methylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine
CID 62472745
N,N-diethyl-2-[5-(ethylaminomethyl)-4-methyl-1,3-thiazol-2-yl]ethanamine
CID 62403200
N-methyl-1-[4-methyl-2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methanamine
CID 82193645
2-[2-[2-(diethylamino)ethyl]-4-methyl-1,3-thiazol-5-yl]acetonitrile
CID 82427622
4-methyl-5-(methylaminomethyl)-N,N-dipropyl-1,3-thiazol-2-amine
CID 62765690
2-(diethylaminomethyl)-4-methyl-1,3-thiazole-5-carbothioamide
CID 82427411
N-[[5-(bromomethyl)-4-ethyl-1,3-thiazol-2-yl]methyl]-N-ethylethanamine
CID 82430445
1-[2-[(dimethylamino)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82435165
N-[[2-(diethylaminomethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82435204
1-[2-(3-ethoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116777834
2-[2-(diethylaminomethyl)-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid
CID 82435214

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]ethanamine (CID 82193737) is N-ethyl-N-[[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]ethanamine is CCN(CC)Cc1nc(C)c(CNC)s1.
What is the InChIKey of N-ethyl-N-[[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
The InChIKey is PXDOQFLQXAJIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-5-14(6-2)8-11-13-9(3)10(15-11)7-12-4/h12H,5-8H2,1-4H3.
What are the key properties of N-ethyl-N-[[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]ethanamine?
N-ethyl-N-[[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]ethanamine has a molecular weight of 227.38 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 82193737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).