(1R)-1-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine

C17H17N3S — CID 78950455

IUPAC(1R)-1-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESC[C@@H](NCc1csc(-c2ccccn2)n1)c1ccccc1
InChIInChI=1S/C17H17N3S/c1-13(14-7-3-2-4-8-14)19-11-15-12-21-17(20-15)16-9-5-6-10-18-16/h2-10,12-13,19H,11H2,1H3/t13-/m1/s1
InChIKeyKBBJKLBTUFEBHU-CYBMUJFWSA-N
MW295.41 g/mol
LogP4.06
Rot. Bonds5

About (1R)-1-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine

(1R)-1-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 78950455) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is (1R)-1-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID78950455
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name(1R)-1-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESC[C@@H](NCc1csc(-c2ccccn2)n1)c1ccccc1
InChIInChI=1S/C17H17N3S/c1-13(14-7-3-2-4-8-14)19-11-15-12-21-17(20-15)16-9-5-6-10-18-16/h2-10,12-13,19H,11H2,1H3/t13-/m1/s1
InChIKeyKBBJKLBTUFEBHU-CYBMUJFWSA-N
XLogP4.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine (CID 78950455) is (1R)-1-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine is C[C@@H](NCc1csc(-c2ccccn2)n1)c1ccccc1.
What is the InChIKey of (1R)-1-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is KBBJKLBTUFEBHU-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17N3S/c1-13(14-7-3-2-4-8-14)19-11-15-12-21-17(20-15)16-9-5-6-10-18-16/h2-10,12-13,19H,11H2,1H3/t13-/m1/s1.
What are the key properties of (1R)-1-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine?
(1R)-1-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 295.41 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 78950455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).