N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylsulfanylpropan-1-amine

C10H18N2OS2 — CID 115654243

IUPACN-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylsulfanylpropan-1-amine
SMILESCOCc1nc(CNCCCSC)cs1
InChIInChI=1S/C10H18N2OS2/c1-13-7-10-12-9(8-15-10)6-11-4-3-5-14-2/h8,11H,3-7H2,1-2H3
InChIKeyGYJBPTRJOPUDRX-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.13
Rot. Bonds8

About N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylsulfanylpropan-1-amine

N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylsulfanylpropan-1-amine (PubChem CID 115654243) has the molecular formula C10H18N2OS2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylsulfanylpropan-1-amine
PubChem CID115654243
Molecular FormulaC10H18N2OS2
Molecular Weight246.40 g/mol
Exact Mass246.09
IUPAC NameN-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylsulfanylpropan-1-amine
SMILESCOCc1nc(CNCCCSC)cs1
InChIInChI=1S/C10H18N2OS2/c1-13-7-10-12-9(8-15-10)6-11-4-3-5-14-2/h8,11H,3-7H2,1-2H3
InChIKeyGYJBPTRJOPUDRX-UHFFFAOYSA-N
XLogP2.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]butan-1-amine
CID 115652225
N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylsulfanylbutan-1-amine
CID 115653163
4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]-3-methylbutan-1-ol
CID 115656786
[1-[[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]methyl]cyclopropyl]methanol
CID 115671392
3-methylsulfanyl-N-(thiadiazol-4-ylmethyl)propan-1-amine
CID 63983801
N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylcyclobutan-1-amine
CID 115671468
3-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]propan-1-ol
CID 111122709
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 63982283
N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
CID 60961143
3-[2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethylsulfanyl]propan-1-ol;hydrochloride
CID 115616096
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 55031559
N,N-diethyl-2-[4-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-yl]ethanamine
CID 82515371

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylsulfanylpropan-1-amine?
The IUPAC name of N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylsulfanylpropan-1-amine (CID 115654243) is N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylsulfanylpropan-1-amine.
What is the SMILES notation for N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylsulfanylpropan-1-amine?
The canonical SMILES for N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylsulfanylpropan-1-amine is COCc1nc(CNCCCSC)cs1.
What is the InChIKey of N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylsulfanylpropan-1-amine?
The InChIKey is GYJBPTRJOPUDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS2/c1-13-7-10-12-9(8-15-10)6-11-4-3-5-14-2/h8,11H,3-7H2,1-2H3.
What are the key properties of N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylsulfanylpropan-1-amine?
N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylsulfanylpropan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylsulfanylpropan-1-amine is sourced from PubChem (CID 115654243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).