4-methoxy-4-methyl-2-(1,3-thiazol-2-yl)pentan-2-amine

C10H18N2OS — CID 61330467

IUPAC4-methoxy-4-methyl-2-(1,3-thiazol-2-yl)pentan-2-amine
SMILESCOC(C)(C)CC(C)(N)c1nccs1
InChIInChI=1S/C10H18N2OS/c1-9(2,13-4)7-10(3,11)8-12-5-6-14-8/h5-6H,7,11H2,1-4H3
InChIKeyYRXFFGRZIQAHHE-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.13
Rot. Bonds4

About 4-methoxy-4-methyl-2-(1,3-thiazol-2-yl)pentan-2-amine

4-methoxy-4-methyl-2-(1,3-thiazol-2-yl)pentan-2-amine (PubChem CID 61330467) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 4-methoxy-4-methyl-2-(1,3-thiazol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-2-(1,3-thiazol-2-yl)pentan-2-amine
PubChem CID61330467
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name4-methoxy-4-methyl-2-(1,3-thiazol-2-yl)pentan-2-amine
SMILESCOC(C)(C)CC(C)(N)c1nccs1
InChIInChI=1S/C10H18N2OS/c1-9(2,13-4)7-10(3,11)8-12-5-6-14-8/h5-6H,7,11H2,1-4H3
InChIKeyYRXFFGRZIQAHHE-UHFFFAOYSA-N
XLogP2.13
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-2-(1,3-thiazol-2-yl)pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-2-(1,3-thiazol-2-yl)pentan-2-amine (CID 61330467) is 4-methoxy-4-methyl-2-(1,3-thiazol-2-yl)pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-2-(1,3-thiazol-2-yl)pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-2-(1,3-thiazol-2-yl)pentan-2-amine is COC(C)(C)CC(C)(N)c1nccs1.
What is the InChIKey of 4-methoxy-4-methyl-2-(1,3-thiazol-2-yl)pentan-2-amine?
The InChIKey is YRXFFGRZIQAHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-9(2,13-4)7-10(3,11)8-12-5-6-14-8/h5-6H,7,11H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-2-(1,3-thiazol-2-yl)pentan-2-amine?
4-methoxy-4-methyl-2-(1,3-thiazol-2-yl)pentan-2-amine has a molecular weight of 214.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-2-(1,3-thiazol-2-yl)pentan-2-amine is sourced from PubChem (CID 61330467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).