(1R)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-phenylethanamine

C15H20N2S — CID 81351065

IUPAC(1R)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-phenylethanamine
SMILESCc1nc(C)c(C(C)N[C@H](C)c2ccccc2)s1
InChIInChI=1S/C15H20N2S/c1-10(14-8-6-5-7-9-14)16-11(2)15-12(3)17-13(4)18-15/h5-11,16H,1-4H3/t10-,11?/m1/s1
InChIKeyKAEHJXIMHUPOHG-NFJWQWPMSA-N
MW260.41 g/mol
LogP4.17
Rot. Bonds4

About (1R)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-phenylethanamine

(1R)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-phenylethanamine (PubChem CID 81351065) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is (1R)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1R)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-phenylethanamine
PubChem CID81351065
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name(1R)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-phenylethanamine
SMILESCc1nc(C)c(C(C)N[C@H](C)c2ccccc2)s1
InChIInChI=1S/C15H20N2S/c1-10(14-8-6-5-7-9-14)16-11(2)15-12(3)17-13(4)18-15/h5-11,16H,1-4H3/t10-,11?/m1/s1
InChIKeyKAEHJXIMHUPOHG-NFJWQWPMSA-N
XLogP4.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 61193442
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 63752942
(1S)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81344838
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-methyl-1-phenylbutan-1-amine
CID 61193320
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 61193660
1-(3,5-dimethylphenyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 81326914
(1R)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(2-methoxyphenyl)ethanamine
CID 81396845
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 61192274
1-(2,5-dimethylphenyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 61193776
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pentan-3-amine
CID 61193894
(1R)-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]-1-phenylethanamine
CID 81351876
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 61193902

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-phenylethanamine?
The IUPAC name of (1R)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-phenylethanamine (CID 81351065) is (1R)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-phenylethanamine.
What is the SMILES notation for (1R)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-phenylethanamine?
The canonical SMILES for (1R)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-phenylethanamine is Cc1nc(C)c(C(C)N[C@H](C)c2ccccc2)s1.
What is the InChIKey of (1R)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-phenylethanamine?
The InChIKey is KAEHJXIMHUPOHG-NFJWQWPMSA-N. The full InChI is InChI=1S/C15H20N2S/c1-10(14-8-6-5-7-9-14)16-11(2)15-12(3)17-13(4)18-15/h5-11,16H,1-4H3/t10-,11?/m1/s1.
What are the key properties of (1R)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-phenylethanamine?
(1R)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-phenylethanamine has a molecular weight of 260.41 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-phenylethanamine is sourced from PubChem (CID 81351065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).