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

C14H18N2S — CID 124570142

IUPAC(2R)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]butan-2-amine
SMILESCC[C@@H](C)N[C@@H](c1ccccc1)c1nccs1
InChIInChI=1S/C14H18N2S/c1-3-11(2)16-13(14-15-9-10-17-14)12-7-5-4-6-8-12/h4-11,13,16H,3H2,1-2H3/t11-,13+/m1/s1
InChIKeyIDMAVXXRWCOFBM-YPMHNXCESA-N
MW246.38 g/mol
LogP3.62
Rot. Bonds5

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

(2R)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]butan-2-amine (PubChem CID 124570142) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is (2R)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]butan-2-amine
PubChem CID124570142
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name(2R)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]butan-2-amine
SMILESCC[C@@H](C)N[C@@H](c1ccccc1)c1nccs1
InChIInChI=1S/C14H18N2S/c1-3-11(2)16-13(14-15-9-10-17-14)12-7-5-4-6-8-12/h4-11,13,16H,3H2,1-2H3/t11-,13+/m1/s1
InChIKeyIDMAVXXRWCOFBM-YPMHNXCESA-N
XLogP3.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-phenylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 61329994
2-(5-methyl-4-phenylhexan-3-yl)-1,3-thiazole
CID 90941742
1-phenyl-N-[2-(1,3-thiazol-2-yl)propyl]propan-1-amine
CID 113429643
2-methoxy-N-[phenyl(1,3-thiazol-2-yl)methyl]ethanamine
CID 62071098
2-[methyl-[2-oxo-2-[[phenyl(1,3-thiazol-2-yl)methyl]amino]ethyl]amino]propanoic acid
CID 119913156
2,6-dimethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 133299720
6-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]pyrazin-2-amine
CID 133470230
(1R)-1-phenyl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 112742116
N-[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 61335195
(R)-phenyl(1,3-thiazol-2-yl)methanol
CID 10511917
2-[cyclopropyl-(4-ethylcyclohexyl)amino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56570887
ethane;phenyl(1,3-thiazol-2-yl)methanol;hydrate
CID 142101108

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]butan-2-amine?
The IUPAC name of (2R)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]butan-2-amine (CID 124570142) is (2R)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]butan-2-amine.
What is the SMILES notation for (2R)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]butan-2-amine?
The canonical SMILES for (2R)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]butan-2-amine is CC[C@@H](C)N[C@@H](c1ccccc1)c1nccs1.
What is the InChIKey of (2R)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]butan-2-amine?
The InChIKey is IDMAVXXRWCOFBM-YPMHNXCESA-N. The full InChI is InChI=1S/C14H18N2S/c1-3-11(2)16-13(14-15-9-10-17-14)12-7-5-4-6-8-12/h4-11,13,16H,3H2,1-2H3/t11-,13+/m1/s1.
What are the key properties of (2R)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]butan-2-amine?
(2R)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]butan-2-amine has a molecular weight of 246.38 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(S)-phenyl(1,3-thiazol-2-yl)methyl]butan-2-amine is sourced from PubChem (CID 124570142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).