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

C13H24N2OS — CID 103028592

IUPAC4-methoxy-4-methyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine
SMILESCCCNC(Cc1nccs1)CC(C)(C)OC
InChIInChI=1S/C13H24N2OS/c1-5-6-14-11(10-13(2,3)16-4)9-12-15-7-8-17-12/h7-8,11,14H,5-6,9-10H2,1-4H3
InChIKeyGBGCGFLNDZPOBJ-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.87
Rot. Bonds8

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

4-methoxy-4-methyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine (PubChem CID 103028592) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine
PubChem CID103028592
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name4-methoxy-4-methyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine
SMILESCCCNC(Cc1nccs1)CC(C)(C)OC
InChIInChI=1S/C13H24N2OS/c1-5-6-14-11(10-13(2,3)16-4)9-12-15-7-8-17-12/h7-8,11,14H,5-6,9-10H2,1-4H3
InChIKeyGBGCGFLNDZPOBJ-UHFFFAOYSA-N
XLogP2.87
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.87
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-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine (CID 103028592) is 4-methoxy-4-methyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine is CCCNC(Cc1nccs1)CC(C)(C)OC.
What is the InChIKey of 4-methoxy-4-methyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine?
The InChIKey is GBGCGFLNDZPOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-5-6-14-11(10-13(2,3)16-4)9-12-15-7-8-17-12/h7-8,11,14H,5-6,9-10H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine?
4-methoxy-4-methyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine has a molecular weight of 256.41 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-N-propyl-1-(1,3-thiazol-2-yl)pentan-2-amine is sourced from PubChem (CID 103028592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).