(2S)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine

C13H24N2OS — CID 95227400

IUPAC(2S)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine
SMILESCCc1csc(CN[C@@H](C)CC(C)(C)OC)n1
InChIInChI=1S/C13H24N2OS/c1-6-11-9-17-12(15-11)8-14-10(2)7-13(3,4)16-5/h9-10,14H,6-8H2,1-5H3/t10-/m0/s1
InChIKeyRRCVWOXFFXVCAA-JTQLQIEISA-N
MW256.41 g/mol
LogP3.00
Rot. Bonds7

About (2S)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine

(2S)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine (PubChem CID 95227400) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is (2S)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine
PubChem CID95227400
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name(2S)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine
SMILESCCc1csc(CN[C@@H](C)CC(C)(C)OC)n1
InChIInChI=1S/C13H24N2OS/c1-6-11-9-17-12(15-11)8-14-10(2)7-13(3,4)16-5/h9-10,14H,6-8H2,1-5H3/t10-/m0/s1
InChIKeyRRCVWOXFFXVCAA-JTQLQIEISA-N
XLogP3.00
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of (2S)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine (CID 95227400) is (2S)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for (2S)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for (2S)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine is CCc1csc(CN[C@@H](C)CC(C)(C)OC)n1.
What is the InChIKey of (2S)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine?
The InChIKey is RRCVWOXFFXVCAA-JTQLQIEISA-N. The full InChI is InChI=1S/C13H24N2OS/c1-6-11-9-17-12(15-11)8-14-10(2)7-13(3,4)16-5/h9-10,14H,6-8H2,1-5H3/t10-/m0/s1.
What are the key properties of (2S)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine?
(2S)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine has a molecular weight of 256.41 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 95227400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).