N-(3-methoxy-2-methylpropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

C13H26N2OS — CID 106285135

IUPACN-(3-methoxy-2-methylpropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NCC(C)COC)S1
InChIInChI=1S/C13H26N2OS/c1-5-11(6-2)12-8-15-13(17-12)14-7-10(3)9-16-4/h10-12H,5-9H2,1-4H3,(H,14,15)
InChIKeyMAAHQPDDSHPKHC-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.77
Rot. Bonds7

About N-(3-methoxy-2-methylpropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

N-(3-methoxy-2-methylpropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106285135) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is N-(3-methoxy-2-methylpropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxy-2-methylpropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106285135
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC NameN-(3-methoxy-2-methylpropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NCC(C)COC)S1
InChIInChI=1S/C13H26N2OS/c1-5-11(6-2)12-8-15-13(17-12)14-7-10(3)9-16-4/h10-12H,5-9H2,1-4H3,(H,14,15)
InChIKeyMAAHQPDDSHPKHC-UHFFFAOYSA-N
XLogP2.77
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-methoxy-2-methylpropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-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-methoxy-2-methylpropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(3-methoxy-2-methylpropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 106285135) is N-(3-methoxy-2-methylpropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-methoxy-2-methylpropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-methoxy-2-methylpropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(NCC(C)COC)S1.
What is the InChIKey of N-(3-methoxy-2-methylpropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is MAAHQPDDSHPKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-5-11(6-2)12-8-15-13(17-12)14-7-10(3)9-16-4/h10-12H,5-9H2,1-4H3,(H,14,15).
What are the key properties of N-(3-methoxy-2-methylpropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-(3-methoxy-2-methylpropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 258.43 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-2-methylpropyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106285135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).