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

C12H16N2OS — CID 61282283

IUPACN-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1sc(-c2ccc(C)o2)nc1C
InChIInChI=1S/C12H16N2OS/c1-7-5-6-10(15-7)12-14-9(3)11(16-12)8(2)13-4/h5-6,8,13H,1-4H3
InChIKeyYDDZDKXAUHJKTR-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.30
Rot. Bonds3

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

N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 61282283) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID61282283
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1sc(-c2ccc(C)o2)nc1C
InChIInChI=1S/C12H16N2OS/c1-7-5-6-10(15-7)12-14-9(3)11(16-12)8(2)13-4/h5-6,8,13H,1-4H3
InChIKeyYDDZDKXAUHJKTR-UHFFFAOYSA-N
XLogP3.30
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanamine (CID 61282283) is N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanamine is CNC(C)c1sc(-c2ccc(C)o2)nc1C.
What is the InChIKey of N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is YDDZDKXAUHJKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-7-5-6-10(15-7)12-14-9(3)11(16-12)8(2)13-4/h5-6,8,13H,1-4H3.
What are the key properties of N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanamine?
N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 236.34 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 61282283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).