(1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine

C12H14N2S — CID 81351888

IUPAC(1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
SMILESC[C@@H](NCc1cncs1)c1ccccc1
InChIInChI=1S/C12H14N2S/c1-10(11-5-3-2-4-6-11)14-8-12-7-13-9-15-12/h2-7,9-10,14H,8H2,1H3/t10-/m1/s1
InChIKeyRVFKRHUTHKSVHE-SNVBAGLBSA-N
MW218.33 g/mol
LogP2.99
Rot. Bonds4

About (1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine

(1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine (PubChem CID 81351888) has the molecular formula C12H14N2S and a molecular weight of 218.33 g/mol. Its IUPAC name is (1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
PubChem CID81351888
Molecular FormulaC12H14N2S
Molecular Weight218.33 g/mol
Exact Mass218.09
IUPAC Name(1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
SMILESC[C@@H](NCc1cncs1)c1ccccc1
InChIInChI=1S/C12H14N2S/c1-10(11-5-3-2-4-6-11)14-8-12-7-13-9-15-12/h2-7,9-10,14H,8H2,1H3/t10-/m1/s1
InChIKeyRVFKRHUTHKSVHE-SNVBAGLBSA-N
XLogP2.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62758658
1-(4-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62760386
(1R)-1-(3-chlorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81366485
(1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81365024
(1R)-1-(2-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81373323
1-(3,5-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115732390
1-(3,4-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115732234
1-phenyl-1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 115732172
1-(furan-2-yl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62758862
3,3-dimethyl-1-phenyl-N-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 55109666
1-phenyl-N-[[5-[(1-phenylethylamino)methyl]thiophen-2-yl]methyl]ethanamine
CID 78022429
1-(2-methylphenyl)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 104585372

Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine (CID 81351888) is (1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine is C[C@@H](NCc1cncs1)c1ccccc1.
What is the InChIKey of (1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The InChIKey is RVFKRHUTHKSVHE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14N2S/c1-10(11-5-3-2-4-6-11)14-8-12-7-13-9-15-12/h2-7,9-10,14H,8H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine?
(1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine has a molecular weight of 218.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 81351888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).