(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine

C15H20N2S — CID 81374720

IUPAC(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCCc1ncc(CN[C@@H](C)c2ccccc2C)s1
InChIInChI=1S/C15H20N2S/c1-4-15-17-10-13(18-15)9-16-12(3)14-8-6-5-7-11(14)2/h5-8,10,12,16H,4,9H2,1-3H3/t12-/m0/s1
InChIKeyGKSPEDSKIOHVNA-LBPRGKRZSA-N
MW260.41 g/mol
LogP3.86
Rot. Bonds5

About (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine

(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine (PubChem CID 81374720) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine
PubChem CID81374720
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCCc1ncc(CN[C@@H](C)c2ccccc2C)s1
InChIInChI=1S/C15H20N2S/c1-4-15-17-10-13(18-15)9-16-12(3)14-8-6-5-7-11(14)2/h5-8,10,12,16H,4,9H2,1-3H3/t12-/m0/s1
InChIKeyGKSPEDSKIOHVNA-LBPRGKRZSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 54883561
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81397300
(1S)-N-[(5-ethylthiophen-2-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375029
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81399072
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 60982900
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylethanamine
CID 54883465
(1R)-1-(2-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81373323
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-methylaniline
CID 60983133
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-naphthalen-1-ylethanamine
CID 103729895
1-(1H-benzimidazol-2-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 62673725
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 60982159
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-[1-(2-methylphenyl)ethyl]guanidine;hydroiodide
CID 111515786

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine?
The IUPAC name of (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine (CID 81374720) is (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine is CCc1ncc(CN[C@@H](C)c2ccccc2C)s1.
What is the InChIKey of (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine?
The InChIKey is GKSPEDSKIOHVNA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N2S/c1-4-15-17-10-13(18-15)9-16-12(3)14-8-6-5-7-11(14)2/h5-8,10,12,16H,4,9H2,1-3H3/t12-/m0/s1.
What are the key properties of (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine?
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine has a molecular weight of 260.41 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 81374720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).