N-[(5-methyloxolan-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine

C14H24N2OS — CID 82836960

IUPACN-[(5-methyloxolan-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nc(C(C)C)cs1)C1CCC(C)O1
InChIInChI=1S/C14H24N2OS/c1-5-15-13(12-7-6-10(4)17-12)14-16-11(8-18-14)9(2)3/h8-10,12-13,15H,5-7H2,1-4H3
InChIKeyJOVXBYUTGQQICP-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.48
Rot. Bonds5

About N-[(5-methyloxolan-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine

N-[(5-methyloxolan-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 82836960) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-[(5-methyloxolan-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methyloxolan-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID82836960
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-[(5-methyloxolan-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nc(C(C)C)cs1)C1CCC(C)O1
InChIInChI=1S/C14H24N2OS/c1-5-15-13(12-7-6-10(4)17-12)14-16-11(8-18-14)9(2)3/h8-10,12-13,15H,5-7H2,1-4H3
InChIKeyJOVXBYUTGQQICP-UHFFFAOYSA-N
XLogP3.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-methyloxolan-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine 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-[(5-methyloxolan-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5-methyloxolan-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine (CID 82836960) is N-[(5-methyloxolan-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-methyloxolan-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-methyloxolan-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine is CCNC(c1nc(C(C)C)cs1)C1CCC(C)O1.
What is the InChIKey of N-[(5-methyloxolan-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is JOVXBYUTGQQICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-5-15-13(12-7-6-10(4)17-12)14-16-11(8-18-14)9(2)3/h8-10,12-13,15H,5-7H2,1-4H3.
What are the key properties of N-[(5-methyloxolan-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
N-[(5-methyloxolan-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 268.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyloxolan-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 82836960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).