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

C12H22N2S2 — CID 99932436

IUPACN-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCCCN(C)[C@H](C)c1nc(C)sc1C
InChIInChI=1S/C12H22N2S2/c1-9(14(4)7-6-8-15-5)12-10(2)16-11(3)13-12/h9H,6-8H2,1-5H3/t9-/m1/s1
InChIKeyWJQLSVRBOKTMDD-SECBINFHSA-N
MW258.46 g/mol
LogP3.51
Rot. Bonds6

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

N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3-methylsulfanylpropan-1-amine (PubChem CID 99932436) has the molecular formula C12H22N2S2 and a molecular weight of 258.46 g/mol. Its IUPAC name is N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3-methylsulfanylpropan-1-amine
PubChem CID99932436
Molecular FormulaC12H22N2S2
Molecular Weight258.46 g/mol
Exact Mass258.12
IUPAC NameN-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3-methylsulfanylpropan-1-amine
SMILESCSCCCN(C)[C@H](C)c1nc(C)sc1C
InChIInChI=1S/C12H22N2S2/c1-9(14(4)7-6-8-15-5)12-10(2)16-11(3)13-12/h9H,6-8H2,1-5H3/t9-/m1/s1
InChIKeyWJQLSVRBOKTMDD-SECBINFHSA-N
XLogP3.51
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.46
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]-N-ethylpropanamide
CID 124855101
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylacetamide
CID 124750849
3-[2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl-methylamino]ethyl]-1,3-benzoxazol-2-one
CID 56718916
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106622843
(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(6-methoxy-3-pyridinyl)methyl]-N-methylethanamine
CID 99932010
(1R)-N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethanamine
CID 99937483
(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methyl-N-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]ethanamine
CID 99932643
3-[tert-butyl-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]propanoic acid
CID 65058660
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62635360
2-[tert-butyl-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]acetic acid
CID 79268255
N-(2,1,3-benzoxadiazol-4-ylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylethanamine
CID 77084709
N-(2,3-dihydro-1H-inden-5-yl)-3-[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-methylamino]propanamide
CID 124750744

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3-methylsulfanylpropan-1-amine (CID 99932436) is N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3-methylsulfanylpropan-1-amine is CSCCCN(C)[C@H](C)c1nc(C)sc1C.
What is the InChIKey of N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3-methylsulfanylpropan-1-amine?
The InChIKey is WJQLSVRBOKTMDD-SECBINFHSA-N. The full InChI is InChI=1S/C12H22N2S2/c1-9(14(4)7-6-8-15-5)12-10(2)16-11(3)13-12/h9H,6-8H2,1-5H3/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3-methylsulfanylpropan-1-amine?
N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3-methylsulfanylpropan-1-amine has a molecular weight of 258.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methyl-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 99932436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).