N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-methoxy-4-methylpentan-2-amine

C14H26N2OS — CID 50972337

IUPACN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-methoxy-4-methylpentan-2-amine
SMILESCCc1nc(C)sc1CNC(C)CC(C)(C)OC
InChIInChI=1S/C14H26N2OS/c1-7-12-13(18-11(3)16-12)9-15-10(2)8-14(4,5)17-6/h10,15H,7-9H2,1-6H3
InChIKeyIKEHIOLCGZWJCR-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.31
Rot. Bonds7

About N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-methoxy-4-methylpentan-2-amine

N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-methoxy-4-methylpentan-2-amine (PubChem CID 50972337) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-methoxy-4-methylpentan-2-amine
PubChem CID50972337
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC NameN-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-methoxy-4-methylpentan-2-amine
SMILESCCc1nc(C)sc1CNC(C)CC(C)(C)OC
InChIInChI=1S/C14H26N2OS/c1-7-12-13(18-11(3)16-12)9-15-10(2)8-14(4,5)17-6/h10,15H,7-9H2,1-6H3
InChIKeyIKEHIOLCGZWJCR-UHFFFAOYSA-N
XLogP3.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-methoxy-4-methylpentan-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-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-methoxy-4-methylpentan-2-amine (CID 50972337) is N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-methoxy-4-methylpentan-2-amine is CCc1nc(C)sc1CNC(C)CC(C)(C)OC.
What is the InChIKey of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-methoxy-4-methylpentan-2-amine?
The InChIKey is IKEHIOLCGZWJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-7-12-13(18-11(3)16-12)9-15-10(2)8-14(4,5)17-6/h10,15H,7-9H2,1-6H3.
What are the key properties of N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-methoxy-4-methylpentan-2-amine?
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-methoxy-4-methylpentan-2-amine has a molecular weight of 270.44 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 50972337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).