5-(3-methoxy-3-methylbutyl)-1,3-thiazol-2-amine

C9H16N2OS — CID 103037384

IUPAC5-(3-methoxy-3-methylbutyl)-1,3-thiazol-2-amine
SMILESCOC(C)(C)CCc1cnc(N)s1
InChIInChI=1S/C9H16N2OS/c1-9(2,12-3)5-4-7-6-11-8(10)13-7/h6H,4-5H2,1-3H3,(H2,10,11)
InChIKeyMOEIWUQKYJEGTH-UHFFFAOYSA-N
MW200.31 g/mol
LogP2.08
Rot. Bonds4

About 5-(3-methoxy-3-methylbutyl)-1,3-thiazol-2-amine

5-(3-methoxy-3-methylbutyl)-1,3-thiazol-2-amine (PubChem CID 103037384) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 5-(3-methoxy-3-methylbutyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3-methoxy-3-methylbutyl)-1,3-thiazol-2-amine
PubChem CID103037384
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name5-(3-methoxy-3-methylbutyl)-1,3-thiazol-2-amine
SMILESCOC(C)(C)CCc1cnc(N)s1
InChIInChI=1S/C9H16N2OS/c1-9(2,12-3)5-4-7-6-11-8(10)13-7/h6H,4-5H2,1-3H3,(H2,10,11)
InChIKeyMOEIWUQKYJEGTH-UHFFFAOYSA-N
XLogP2.08
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3-methoxy-3-methylbutyl)-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-(3-methoxy-3-methylbutyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(3-methoxy-3-methylbutyl)-1,3-thiazol-2-amine (CID 103037384) is 5-(3-methoxy-3-methylbutyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3-methoxy-3-methylbutyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3-methoxy-3-methylbutyl)-1,3-thiazol-2-amine is COC(C)(C)CCc1cnc(N)s1.
What is the InChIKey of 5-(3-methoxy-3-methylbutyl)-1,3-thiazol-2-amine?
The InChIKey is MOEIWUQKYJEGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-9(2,12-3)5-4-7-6-11-8(10)13-7/h6H,4-5H2,1-3H3,(H2,10,11).
What are the key properties of 5-(3-methoxy-3-methylbutyl)-1,3-thiazol-2-amine?
5-(3-methoxy-3-methylbutyl)-1,3-thiazol-2-amine has a molecular weight of 200.31 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-3-methylbutyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 103037384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).