N-methyl-4-[1-(methylamino)ethyl]-N-(1-thiophen-2-ylethyl)-1,3-thiazol-2-amine

C13H19N3S2 — CID 64542538

IUPACN-methyl-4-[1-(methylamino)ethyl]-N-(1-thiophen-2-ylethyl)-1,3-thiazol-2-amine
SMILESCNC(C)c1csc(N(C)C(C)c2cccs2)n1
InChIInChI=1S/C13H19N3S2/c1-9(14-3)11-8-18-13(15-11)16(4)10(2)12-6-5-7-17-12/h5-10,14H,1-4H3
InChIKeyFGFGQHUDMRQXEY-UHFFFAOYSA-N
MW281.45 g/mol
LogP3.68
Rot. Bonds5

About N-methyl-4-[1-(methylamino)ethyl]-N-(1-thiophen-2-ylethyl)-1,3-thiazol-2-amine

N-methyl-4-[1-(methylamino)ethyl]-N-(1-thiophen-2-ylethyl)-1,3-thiazol-2-amine (PubChem CID 64542538) has the molecular formula C13H19N3S2 and a molecular weight of 281.45 g/mol. Its IUPAC name is N-methyl-4-[1-(methylamino)ethyl]-N-(1-thiophen-2-ylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-[1-(methylamino)ethyl]-N-(1-thiophen-2-ylethyl)-1,3-thiazol-2-amine
PubChem CID64542538
Molecular FormulaC13H19N3S2
Molecular Weight281.45 g/mol
Exact Mass281.10
IUPAC NameN-methyl-4-[1-(methylamino)ethyl]-N-(1-thiophen-2-ylethyl)-1,3-thiazol-2-amine
SMILESCNC(C)c1csc(N(C)C(C)c2cccs2)n1
InChIInChI=1S/C13H19N3S2/c1-9(14-3)11-8-18-13(15-11)16(4)10(2)12-6-5-7-17-12/h5-10,14H,1-4H3
InChIKeyFGFGQHUDMRQXEY-UHFFFAOYSA-N
XLogP3.68
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[1-(methylamino)ethyl]-N-(1-thiophen-2-ylethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-4-[1-(methylamino)ethyl]-N-(1-thiophen-2-ylethyl)-1,3-thiazol-2-amine (CID 64542538) is N-methyl-4-[1-(methylamino)ethyl]-N-(1-thiophen-2-ylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-4-[1-(methylamino)ethyl]-N-(1-thiophen-2-ylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-4-[1-(methylamino)ethyl]-N-(1-thiophen-2-ylethyl)-1,3-thiazol-2-amine is CNC(C)c1csc(N(C)C(C)c2cccs2)n1.
What is the InChIKey of N-methyl-4-[1-(methylamino)ethyl]-N-(1-thiophen-2-ylethyl)-1,3-thiazol-2-amine?
The InChIKey is FGFGQHUDMRQXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S2/c1-9(14-3)11-8-18-13(15-11)16(4)10(2)12-6-5-7-17-12/h5-10,14H,1-4H3.
What are the key properties of N-methyl-4-[1-(methylamino)ethyl]-N-(1-thiophen-2-ylethyl)-1,3-thiazol-2-amine?
N-methyl-4-[1-(methylamino)ethyl]-N-(1-thiophen-2-ylethyl)-1,3-thiazol-2-amine has a molecular weight of 281.45 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[1-(methylamino)ethyl]-N-(1-thiophen-2-ylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 64542538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).