N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-prop-2-enylsulfanylethanamine

C10H16N2S2 — CID 115633744

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-prop-2-enylsulfanylethanamine
SMILESC=CCSCCNCc1nc(C)cs1
InChIInChI=1S/C10H16N2S2/c1-3-5-13-6-4-11-7-10-12-9(2)8-14-10/h3,8,11H,1,4-7H2,2H3
InChIKeyALUGHUNZRBFHPR-UHFFFAOYSA-N
MW228.39 g/mol
LogP2.46
Rot. Bonds7

About N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-prop-2-enylsulfanylethanamine

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-prop-2-enylsulfanylethanamine (PubChem CID 115633744) has the molecular formula C10H16N2S2 and a molecular weight of 228.39 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-prop-2-enylsulfanylethanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-prop-2-enylsulfanylethanamine
PubChem CID115633744
Molecular FormulaC10H16N2S2
Molecular Weight228.39 g/mol
Exact Mass228.08
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-prop-2-enylsulfanylethanamine
SMILESC=CCSCCNCc1nc(C)cs1
InChIInChI=1S/C10H16N2S2/c1-3-5-13-6-4-11-7-10-12-9(2)8-14-10/h3,8,11H,1,4-7H2,2H3
InChIKeyALUGHUNZRBFHPR-UHFFFAOYSA-N
XLogP2.46
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 80695663
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-prop-2-enylsulfanylethanamine
CID 115640533
4-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]butan-1-amine
CID 106844765
N-[(4-methyl-1,3-thiazol-2-yl)methyl]but-3-en-2-amine
CID 115691306
N-[(4-methyl-1,3-thiazol-2-yl)methyl]hexan-1-amine
CID 61042868
4-[(4-methyl-1,3-thiazol-2-yl)methylamino]butan-2-ol
CID 78992704
5-bromo-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-amine
CID 107320377
N-[(4-methyl-1,3-thiazol-2-yl)methyl]pent-4-en-2-amine
CID 115633786
3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propane-1-sulfonamide
CID 104770025
N',N'-diethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propane-1,3-diamine
CID 78992525
2-methyl-2-methylsulfanyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 115664534
N-[(4-ethylphenyl)methyl]-2-prop-2-enylsulfanylethanamine;hydrochloride
CID 115615239

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-prop-2-enylsulfanylethanamine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-prop-2-enylsulfanylethanamine (CID 115633744) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-prop-2-enylsulfanylethanamine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-prop-2-enylsulfanylethanamine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-prop-2-enylsulfanylethanamine is C=CCSCCNCc1nc(C)cs1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-prop-2-enylsulfanylethanamine?
The InChIKey is ALUGHUNZRBFHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S2/c1-3-5-13-6-4-11-7-10-12-9(2)8-14-10/h3,8,11H,1,4-7H2,2H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-prop-2-enylsulfanylethanamine?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-prop-2-enylsulfanylethanamine has a molecular weight of 228.39 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-prop-2-enylsulfanylethanamine is sourced from PubChem (CID 115633744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).