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

C12H23N3S — CID 62423693

IUPACN-ethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine
SMILESCCCCN(CC)Cc1csc(CNC)n1
InChIInChI=1S/C12H23N3S/c1-4-6-7-15(5-2)9-11-10-16-12(14-11)8-13-3/h10,13H,4-9H2,1-3H3
InChIKeyLWGZWTXMDIFFBQ-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.48
Rot. Bonds8

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

N-ethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine (PubChem CID 62423693) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N-ethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine
PubChem CID62423693
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN-ethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine
SMILESCCCCN(CC)Cc1csc(CNC)n1
InChIInChI=1S/C12H23N3S/c1-4-6-7-15(5-2)9-11-10-16-12(14-11)8-13-3/h10,13H,4-9H2,1-3H3
InChIKeyLWGZWTXMDIFFBQ-UHFFFAOYSA-N
XLogP2.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 62419468
2-methoxy-N-(2-methoxyethyl)-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 62462653
N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpropan-1-amine
CID 62420119
2-[butyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]ethanol
CID 62015413
N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 62430173
N-[[4-[[ethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62436296
3-[ethyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]propanoic acid
CID 61009223
N,2,2-trimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
CID 62461023
N,2-dimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine
CID 62420743
N-methyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-1-methylsulfanylpropan-2-amine
CID 112665890
N'-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 62436536
N-methyl-N-[[2-(propylaminomethyl)-1,3-thiazol-4-yl]methyl]pentan-1-amine
CID 62422802

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine?
The IUPAC name of N-ethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine (CID 62423693) is N-ethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine.
What is the SMILES notation for N-ethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine?
The canonical SMILES for N-ethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine is CCCCN(CC)Cc1csc(CNC)n1.
What is the InChIKey of N-ethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine?
The InChIKey is LWGZWTXMDIFFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-4-6-7-15(5-2)9-11-10-16-12(14-11)8-13-3/h10,13H,4-9H2,1-3H3.
What are the key properties of N-ethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine?
N-ethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine has a molecular weight of 241.40 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine is sourced from PubChem (CID 62423693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).