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

C13H22N2O2S2 — CID 114366499

IUPACN-[[4-(methoxymethyl)-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCOCc1nc(C2CSCCO2)sc1CNC(C)C
InChIInChI=1S/C13H22N2O2S2/c1-9(2)14-6-12-10(7-16-3)15-13(19-12)11-8-18-5-4-17-11/h9,11,14H,4-8H2,1-3H3
InChIKeyOAHPKWGSHVHHKP-UHFFFAOYSA-N
MW302.47 g/mol
LogP2.59
Rot. Bonds6

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

N-[[4-(methoxymethyl)-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 114366499) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.47 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID114366499
Molecular FormulaC13H22N2O2S2
Molecular Weight302.47 g/mol
Exact Mass302.11
IUPAC NameN-[[4-(methoxymethyl)-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCOCc1nc(C2CSCCO2)sc1CNC(C)C
InChIInChI=1S/C13H22N2O2S2/c1-9(2)14-6-12-10(7-16-3)15-13(19-12)11-8-18-5-4-17-11/h9,11,14H,4-8H2,1-3H3
InChIKeyOAHPKWGSHVHHKP-UHFFFAOYSA-N
XLogP2.59
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-(methoxymethyl)-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(2-methylpropyl)-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114369085
N-[[4-(methoxymethyl)-2-(oxolan-2-yl)-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82440933
N-[[4-ethyl-2-(4-ethylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841682
[4-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-5-yl]methanamine
CID 114361692
N-[[2-(1,4-dithian-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 113459676
N-[[4-(methoxymethyl)-2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366475
N-[[2-(4-ethylmorpholin-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366231
N-[[2-(1,4-oxathian-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 79968702
N-[[4-cyclopropyl-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114367655
N-[[4-(methoxymethyl)-2-(5-methylpyrimidin-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366562
1-[4-(methoxymethyl)-2-(oxan-4-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366077
N-[[4-(methoxymethyl)-2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366587

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(methoxymethyl)-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 114366499) is N-[[4-(methoxymethyl)-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(methoxymethyl)-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(methoxymethyl)-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is COCc1nc(C2CSCCO2)sc1CNC(C)C.
What is the InChIKey of N-[[4-(methoxymethyl)-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is OAHPKWGSHVHHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-9(2)14-6-12-10(7-16-3)15-13(19-12)11-8-18-5-4-17-11/h9,11,14H,4-8H2,1-3H3.
What are the key properties of N-[[4-(methoxymethyl)-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[4-(methoxymethyl)-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 302.47 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)-2-(1,4-oxathian-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114366499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).