N-[[4-(methoxymethyl)-2-(4-methylthiomorpholin-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine

C14H25N3OS2 — CID 106445877

IUPACN-[[4-(methoxymethyl)-2-(4-methylthiomorpholin-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(C2CSCCN2C)nc1COC
InChIInChI=1S/C14H25N3OS2/c1-4-5-15-8-13-11(9-18-3)16-14(20-13)12-10-19-7-6-17(12)2/h12,15H,4-10H2,1-3H3
InChIKeyNJLSTNVUZPAPMM-UHFFFAOYSA-N
MW315.51 g/mol
LogP2.51
Rot. Bonds7

About N-[[4-(methoxymethyl)-2-(4-methylthiomorpholin-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine

N-[[4-(methoxymethyl)-2-(4-methylthiomorpholin-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 106445877) has the molecular formula C14H25N3OS2 and a molecular weight of 315.51 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)-2-(4-methylthiomorpholin-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)-2-(4-methylthiomorpholin-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID106445877
Molecular FormulaC14H25N3OS2
Molecular Weight315.51 g/mol
Exact Mass315.14
IUPAC NameN-[[4-(methoxymethyl)-2-(4-methylthiomorpholin-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(C2CSCCN2C)nc1COC
InChIInChI=1S/C14H25N3OS2/c1-4-5-15-8-13-11(9-18-3)16-14(20-13)12-10-19-7-6-17(12)2/h12,15H,4-10H2,1-3H3
InChIKeyNJLSTNVUZPAPMM-UHFFFAOYSA-N
XLogP2.51
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.51
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)-2-(4-methylthiomorpholin-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(methoxymethyl)-2-(4-methylthiomorpholin-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 106445877) is N-[[4-(methoxymethyl)-2-(4-methylthiomorpholin-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(methoxymethyl)-2-(4-methylthiomorpholin-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(methoxymethyl)-2-(4-methylthiomorpholin-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(C2CSCCN2C)nc1COC.
What is the InChIKey of N-[[4-(methoxymethyl)-2-(4-methylthiomorpholin-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is NJLSTNVUZPAPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS2/c1-4-5-15-8-13-11(9-18-3)16-14(20-13)12-10-19-7-6-17(12)2/h12,15H,4-10H2,1-3H3.
What are the key properties of N-[[4-(methoxymethyl)-2-(4-methylthiomorpholin-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[4-(methoxymethyl)-2-(4-methylthiomorpholin-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 315.51 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)-2-(4-methylthiomorpholin-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 106445877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).