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

C14H18N2S2 — CID 61281898

IUPACN-methyl-1-[4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1sc(-c2ccc(SC)cc2)nc1C
InChIInChI=1S/C14H18N2S2/c1-9(15-3)13-10(2)16-14(18-13)11-5-7-12(17-4)8-6-11/h5-9,15H,1-4H3
InChIKeyLPNYHYIQRQKOMB-UHFFFAOYSA-N
MW278.45 g/mol
LogP4.12
Rot. Bonds4

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

N-methyl-1-[4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 61281898) has the molecular formula C14H18N2S2 and a molecular weight of 278.45 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID61281898
Molecular FormulaC14H18N2S2
Molecular Weight278.45 g/mol
Exact Mass278.09
IUPAC NameN-methyl-1-[4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1sc(-c2ccc(SC)cc2)nc1C
InChIInChI=1S/C14H18N2S2/c1-9(15-3)13-10(2)16-14(18-13)11-5-7-12(17-4)8-6-11/h5-9,15H,1-4H3
InChIKeyLPNYHYIQRQKOMB-UHFFFAOYSA-N
XLogP4.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.45
LogP ≤ 54.12
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-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]ethanamine (CID 61281898) is N-methyl-1-[4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]ethanamine is CNC(C)c1sc(-c2ccc(SC)cc2)nc1C.
What is the InChIKey of N-methyl-1-[4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is LPNYHYIQRQKOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S2/c1-9(15-3)13-10(2)16-14(18-13)11-5-7-12(17-4)8-6-11/h5-9,15H,1-4H3.
What are the key properties of N-methyl-1-[4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]ethanamine?
N-methyl-1-[4-methyl-2-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 278.45 g/mol, XLogP of 4.12, 4 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-(4-methylsulfanylphenyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 61281898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).