1-methoxy-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]propan-2-amine

C10H18N2OS2 — CID 115721340

IUPAC1-methoxy-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]propan-2-amine
SMILESCOCC(C)NCCCSc1nccs1
InChIInChI=1S/C10H18N2OS2/c1-9(8-13-2)11-4-3-6-14-10-12-5-7-15-10/h5,7,9,11H,3-4,6,8H2,1-2H3
InChIKeySHZWTCHHHUBCSR-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.25
Rot. Bonds8

About 1-methoxy-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]propan-2-amine

1-methoxy-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]propan-2-amine (PubChem CID 115721340) has the molecular formula C10H18N2OS2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-methoxy-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]propan-2-amine
PubChem CID115721340
Molecular FormulaC10H18N2OS2
Molecular Weight246.40 g/mol
Exact Mass246.09
IUPAC Name1-methoxy-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]propan-2-amine
SMILESCOCC(C)NCCCSc1nccs1
InChIInChI=1S/C10H18N2OS2/c1-9(8-13-2)11-4-3-6-14-10-12-5-7-15-10/h5,7,9,11H,3-4,6,8H2,1-2H3
InChIKeySHZWTCHHHUBCSR-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]butan-2-amine
CID 115721327
3-methyl-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]pentan-2-amine
CID 115721318
N-ethyl-5-(1,3-thiazol-2-ylsulfanyl)pentan-2-amine
CID 64626311
N-ethyl-3-(1,3-thiazol-2-ylsulfanyl)propan-1-amine
CID 61386176
1-(2-methoxyethyl)-2-methyl-3-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine;hydroiodide
CID 111825989
3-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]butan-2-amine
CID 62580844
4-methoxy-N-[4-(1,3-thiazol-2-yl)butyl]butan-2-amine
CID 115889738
N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine
CID 43079498
N-methyl-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 61386152
4-methyl-N-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]pentan-1-amine
CID 62579563
1-methoxy-N-(3-methylsulfanylpropyl)propan-2-amine
CID 43180595
1-(2-methoxyethyl)-2-[3-(1,3-thiazol-2-ylsulfanyl)propyl]guanidine;hydroiodide
CID 111465987

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]propan-2-amine?
The IUPAC name of 1-methoxy-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]propan-2-amine (CID 115721340) is 1-methoxy-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]propan-2-amine.
What is the SMILES notation for 1-methoxy-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]propan-2-amine?
The canonical SMILES for 1-methoxy-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]propan-2-amine is COCC(C)NCCCSc1nccs1.
What is the InChIKey of 1-methoxy-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]propan-2-amine?
The InChIKey is SHZWTCHHHUBCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS2/c1-9(8-13-2)11-4-3-6-14-10-12-5-7-15-10/h5,7,9,11H,3-4,6,8H2,1-2H3.
What are the key properties of 1-methoxy-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]propan-2-amine?
1-methoxy-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]propan-2-amine has a molecular weight of 246.40 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[3-(1,3-thiazol-2-ylsulfanyl)propyl]propan-2-amine is sourced from PubChem (CID 115721340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).