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

C12H20N2OS — CID 62719206

IUPACN-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2cscn2)CCOC1
InChIInChI=1S/C12H20N2OS/c1-10(2)13-7-12(3-4-15-8-12)5-11-6-16-9-14-11/h6,9-10,13H,3-5,7-8H2,1-2H3
InChIKeyKIAWGIQSLZCMCR-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.09
Rot. Bonds5

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

N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine (PubChem CID 62719206) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine
PubChem CID62719206
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(Cc2cscn2)CCOC1
InChIInChI=1S/C12H20N2OS/c1-10(2)13-7-12(3-4-15-8-12)5-11-6-16-9-14-11/h6,9-10,13H,3-5,7-8H2,1-2H3
InChIKeyKIAWGIQSLZCMCR-UHFFFAOYSA-N
XLogP2.09
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-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

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine (CID 62719206) is N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine is CC(C)NCC1(Cc2cscn2)CCOC1.
What is the InChIKey of N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is KIAWGIQSLZCMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-10(2)13-7-12(3-4-15-8-12)5-11-6-16-9-14-11/h6,9-10,13H,3-5,7-8H2,1-2H3.
What are the key properties of N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine?
N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 240.37 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62719206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).