N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-ethylsulfanylpropan-2-amine

C11H20N2S2 — CID 115660798

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-ethylsulfanylpropan-2-amine
SMILESCCSCC(C)NCc1sc(C)nc1C
InChIInChI=1S/C11H20N2S2/c1-5-14-7-8(2)12-6-11-9(3)13-10(4)15-11/h8,12H,5-7H2,1-4H3
InChIKeyQCPUCILCTRRVJD-UHFFFAOYSA-N
MW244.43 g/mol
LogP2.99
Rot. Bonds6

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-ethylsulfanylpropan-2-amine

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-ethylsulfanylpropan-2-amine (PubChem CID 115660798) has the molecular formula C11H20N2S2 and a molecular weight of 244.43 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-ethylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-ethylsulfanylpropan-2-amine
PubChem CID115660798
Molecular FormulaC11H20N2S2
Molecular Weight244.43 g/mol
Exact Mass244.11
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-ethylsulfanylpropan-2-amine
SMILESCCSCC(C)NCc1sc(C)nc1C
InChIInChI=1S/C11H20N2S2/c1-5-14-7-8(2)12-6-11-9(3)13-10(4)15-11/h8,12H,5-7H2,1-4H3
InChIKeyQCPUCILCTRRVJD-UHFFFAOYSA-N
XLogP2.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 64539318
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(furan-2-yl)propan-2-amine
CID 64540987
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethylpentan-3-amine
CID 115640538
N-[[4-methyl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82426385
1-ethylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 115660732
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]hept-6-en-3-amine
CID 115724027
1-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 64539742
1-ethylsulfanyl-N-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 115694090
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879387
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 64539925
1-(2,5-dimethylfuran-3-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 64539114
(1R)-1-(2-bromophenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81378611

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-ethylsulfanylpropan-2-amine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-ethylsulfanylpropan-2-amine (CID 115660798) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-ethylsulfanylpropan-2-amine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-ethylsulfanylpropan-2-amine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-ethylsulfanylpropan-2-amine is CCSCC(C)NCc1sc(C)nc1C.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-ethylsulfanylpropan-2-amine?
The InChIKey is QCPUCILCTRRVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S2/c1-5-14-7-8(2)12-6-11-9(3)13-10(4)15-11/h8,12H,5-7H2,1-4H3.
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-ethylsulfanylpropan-2-amine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-ethylsulfanylpropan-2-amine has a molecular weight of 244.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-ethylsulfanylpropan-2-amine is sourced from PubChem (CID 115660798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).