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

C10H18N2OS — CID 103028590

IUPAC4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine
SMILESCOC(C)(C)CC(N)Cc1nccs1
InChIInChI=1S/C10H18N2OS/c1-10(2,13-3)7-8(11)6-9-12-4-5-14-9/h4-5,8H,6-7,11H2,1-3H3
InChIKeyOZIOEAWPLMSQAC-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.83
Rot. Bonds5

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

4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine (PubChem CID 103028590) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine
PubChem CID103028590
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine
SMILESCOC(C)(C)CC(N)Cc1nccs1
InChIInChI=1S/C10H18N2OS/c1-10(2,13-3)7-8(11)6-9-12-4-5-14-9/h4-5,8H,6-7,11H2,1-3H3
InChIKeyOZIOEAWPLMSQAC-UHFFFAOYSA-N
XLogP1.83
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.83
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-1-(1,3-thiazol-2-yl)pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine (CID 103028590) is 4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine is COC(C)(C)CC(N)Cc1nccs1.
What is the InChIKey of 4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine?
The InChIKey is OZIOEAWPLMSQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-10(2,13-3)7-8(11)6-9-12-4-5-14-9/h4-5,8H,6-7,11H2,1-3H3.
What are the key properties of 4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine?
4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine has a molecular weight of 214.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-amine is sourced from PubChem (CID 103028590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).