(2S)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine

C16H22N2OS — CID 124608065

IUPAC(2S)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
SMILESCC[C@](C)(NCc1ccccc1OC)c1nc(C)cs1
InChIInChI=1S/C16H22N2OS/c1-5-16(3,15-18-12(2)11-20-15)17-10-13-8-6-7-9-14(13)19-4/h6-9,11,17H,5,10H2,1-4H3/t16-/m0/s1
InChIKeyQGVYPGXMSVVXKT-INIZCTEOSA-N
MW290.43 g/mol
LogP3.88
Rot. Bonds6

About (2S)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine

(2S)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine (PubChem CID 124608065) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is (2S)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
PubChem CID124608065
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name(2S)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
SMILESCC[C@](C)(NCc1ccccc1OC)c1nc(C)cs1
InChIInChI=1S/C16H22N2OS/c1-5-16(3,15-18-12(2)11-20-15)17-10-13-8-6-7-9-14(13)19-4/h6-9,11,17H,5,10H2,1-4H3/t16-/m0/s1
InChIKeyQGVYPGXMSVVXKT-INIZCTEOSA-N
XLogP3.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of (2S)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine (CID 124608065) is (2S)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for (2S)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for (2S)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine is CC[C@](C)(NCc1ccccc1OC)c1nc(C)cs1.
What is the InChIKey of (2S)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is QGVYPGXMSVVXKT-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-5-16(3,15-18-12(2)11-20-15)17-10-13-8-6-7-9-14(13)19-4/h6-9,11,17H,5,10H2,1-4H3/t16-/m0/s1.
What are the key properties of (2S)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine?
(2S)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 290.43 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 124608065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).