(1R)-1-phenyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine

C18H18N2S — CID 44542480

IUPAC(1R)-1-phenyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESC[C@@H](NCc1cnc(-c2ccccc2)s1)c1ccccc1
InChIInChI=1S/C18H18N2S/c1-14(15-8-4-2-5-9-15)19-12-17-13-20-18(21-17)16-10-6-3-7-11-16/h2-11,13-14,19H,12H2,1H3/t14-/m1/s1
InChIKeyNMKQJEYHFAMXAR-CQSZACIVSA-N
MW294.42 g/mol
LogP4.66
Rot. Bonds5

About (1R)-1-phenyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine

(1R)-1-phenyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 44542480) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is (1R)-1-phenyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-phenyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID44542480
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name(1R)-1-phenyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESC[C@@H](NCc1cnc(-c2ccccc2)s1)c1ccccc1
InChIInChI=1S/C18H18N2S/c1-14(15-8-4-2-5-9-15)19-12-17-13-20-18(21-17)16-10-6-3-7-11-16/h2-11,13-14,19H,12H2,1H3/t14-/m1/s1
InChIKeyNMKQJEYHFAMXAR-CQSZACIVSA-N
XLogP4.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-phenyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 44542480) is (1R)-1-phenyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-phenyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-phenyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine is C[C@@H](NCc1cnc(-c2ccccc2)s1)c1ccccc1.
What is the InChIKey of (1R)-1-phenyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is NMKQJEYHFAMXAR-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18N2S/c1-14(15-8-4-2-5-9-15)19-12-17-13-20-18(21-17)16-10-6-3-7-11-16/h2-11,13-14,19H,12H2,1H3/t14-/m1/s1.
What are the key properties of (1R)-1-phenyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine?
(1R)-1-phenyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 294.42 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 44542480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).