(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine

C8H14N2S — CID 51983424

IUPAC(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine
SMILESCN[C@H](C)c1sc(C)nc1C
InChIInChI=1S/C8H14N2S/c1-5(9-4)8-6(2)10-7(3)11-8/h5,9H,1-4H3/t5-/m1/s1
InChIKeyYVLIGMQLZXNHQN-RXMQYKEDSA-N
MW170.28 g/mol
LogP2.04
Rot. Bonds2

About (1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine

(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine (PubChem CID 51983424) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is (1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine
PubChem CID51983424
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine
SMILESCN[C@H](C)c1sc(C)nc1C
InChIInChI=1S/C8H14N2S/c1-5(9-4)8-6(2)10-7(3)11-8/h5,9H,1-4H3/t5-/m1/s1
InChIKeyYVLIGMQLZXNHQN-RXMQYKEDSA-N
XLogP2.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine?
The IUPAC name of (1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine (CID 51983424) is (1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine.
What is the SMILES notation for (1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine?
The canonical SMILES for (1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine is CN[C@H](C)c1sc(C)nc1C.
What is the InChIKey of (1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine?
The InChIKey is YVLIGMQLZXNHQN-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H14N2S/c1-5(9-4)8-6(2)10-7(3)11-8/h5,9H,1-4H3/t5-/m1/s1.
What are the key properties of (1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine?
(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine has a molecular weight of 170.28 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 51983424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).