3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine

C9H16N2OS — CID 28781522

IUPAC3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESCOCCCNCc1csc(C)n1
InChIInChI=1S/C9H16N2OS/c1-8-11-9(7-13-8)6-10-4-3-5-12-2/h7,10H,3-6H2,1-2H3
InChIKeyFXFXYRFSUGTBID-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.58
Rot. Bonds6

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

3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine (PubChem CID 28781522) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
PubChem CID28781522
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESCOCCCNCc1csc(C)n1
InChIInChI=1S/C9H16N2OS/c1-8-11-9(7-13-8)6-10-4-3-5-12-2/h7,10H,3-6H2,1-2H3
InChIKeyFXFXYRFSUGTBID-UHFFFAOYSA-N
XLogP1.58
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Isopropyl-4-(N-methyl)amino-methyl thiazole
CID 10749687
1-((2-Methyl-1,3-thiazol-4-yl)methyl)piperazine
CID 16227460
[(2-Ethyl-1,3-thiazol-4-yl)methyl](methyl)amine
CID 16494968
Methyl[(2-methyl-1,3-thiazol-4-yl)methyl]amine
CID 18939489
1-[(2-Methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane
CID 28781808
(2-(Methoxymethyl)-1,3-thiazol-4-yl)methanamine
CID 28948312
2-Isopropyl-4-((N-Methylamino)Methyl)Thiazole Hydrochloride
CID 11622565
1-(2-isopropyl-1,3-thiazol-4-yl)-N-methylmethanamine dihydrochloride
CID 45595264
2-[(2-ethyl-1,3-thiazol-4-yl)methyl-methylamino]-N-propan-2-ylacetamide
CID 32049043
1-(4-methylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 53551612
1-(4-cyclopropylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 53584391
1-{[2-(1-Ethoxyethyl)-1,3-thiazol-4-yl]methyl}piperazine
CID 54595740

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine (CID 28781522) is 3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine is COCCCNCc1csc(C)n1.
What is the InChIKey of 3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine?
The InChIKey is FXFXYRFSUGTBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-8-11-9(7-13-8)6-10-4-3-5-12-2/h7,10H,3-6H2,1-2H3.
What are the key properties of 3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine?
3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine has a molecular weight of 200.31 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 28781522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).