5-(2-methylpropoxymethyl)-N-propyl-1,3-thiazol-2-amine

C11H20N2OS — CID 79774588

IUPAC5-(2-methylpropoxymethyl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COCC(C)C)s1
InChIInChI=1S/C11H20N2OS/c1-4-5-12-11-13-6-10(15-11)8-14-7-9(2)3/h6,9H,4-5,7-8H2,1-3H3,(H,12,13)
InChIKeyZEVRMRHVQFATTL-UHFFFAOYSA-N
MW228.36 g/mol
LogP3.14
Rot. Bonds7

About 5-(2-methylpropoxymethyl)-N-propyl-1,3-thiazol-2-amine

5-(2-methylpropoxymethyl)-N-propyl-1,3-thiazol-2-amine (PubChem CID 79774588) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 5-(2-methylpropoxymethyl)-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-methylpropoxymethyl)-N-propyl-1,3-thiazol-2-amine
PubChem CID79774588
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name5-(2-methylpropoxymethyl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COCC(C)C)s1
InChIInChI=1S/C11H20N2OS/c1-4-5-12-11-13-6-10(15-11)8-14-7-9(2)3/h6,9H,4-5,7-8H2,1-3H3,(H,12,13)
InChIKeyZEVRMRHVQFATTL-UHFFFAOYSA-N
XLogP3.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-methylpropoxymethyl)-N-propyl-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 5-(2-methylpropoxymethyl)-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-methylpropoxymethyl)-N-propyl-1,3-thiazol-2-amine (CID 79774588) is 5-(2-methylpropoxymethyl)-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-methylpropoxymethyl)-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-methylpropoxymethyl)-N-propyl-1,3-thiazol-2-amine is CCCNc1ncc(COCC(C)C)s1.
What is the InChIKey of 5-(2-methylpropoxymethyl)-N-propyl-1,3-thiazol-2-amine?
The InChIKey is ZEVRMRHVQFATTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-4-5-12-11-13-6-10(15-11)8-14-7-9(2)3/h6,9H,4-5,7-8H2,1-3H3,(H,12,13).
What are the key properties of 5-(2-methylpropoxymethyl)-N-propyl-1,3-thiazol-2-amine?
5-(2-methylpropoxymethyl)-N-propyl-1,3-thiazol-2-amine has a molecular weight of 228.36 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropoxymethyl)-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79774588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).