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

C13H15ClN2S — CID 28781310

IUPAC(1R)-1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCc1nc(CN[C@H](C)c2ccccc2Cl)cs1
InChIInChI=1S/C13H15ClN2S/c1-9(12-5-3-4-6-13(12)14)15-7-11-8-17-10(2)16-11/h3-6,8-9,15H,7H2,1-2H3/t9-/m1/s1
InChIKeyIPEISECFXLSMOL-SECBINFHSA-N
MW266.80 g/mol
LogP3.96
Rot. Bonds4

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

(1R)-1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 28781310) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is (1R)-1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID28781310
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name(1R)-1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCc1nc(CN[C@H](C)c2ccccc2Cl)cs1
InChIInChI=1S/C13H15ClN2S/c1-9(12-5-3-4-6-13(12)14)15-7-11-8-17-10(2)16-11/h3-6,8-9,15H,7H2,1-2H3/t9-/m1/s1
InChIKeyIPEISECFXLSMOL-SECBINFHSA-N
XLogP3.96
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-chlorophenyl)-N-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 9306498
(1R)-1-(2-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 28781229
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 61282600
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31305146
(1S)-1-(2-chlorophenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 51929924
(1R)-1-(2-chlorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 97021228
1-(3-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43183544
1-(2,5-difluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43433814
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,4,5-trimethylphenyl)ethanamine
CID 61281296
1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62798973
1-(2-bromo-4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 103778055
(1R)-N-[(6-bromo-2-pyridinyl)methyl]-1-(2-chlorophenyl)ethanamine
CID 103936797

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine (CID 28781310) is (1R)-1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine is Cc1nc(CN[C@H](C)c2ccccc2Cl)cs1.
What is the InChIKey of (1R)-1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is IPEISECFXLSMOL-SECBINFHSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-9(12-5-3-4-6-13(12)14)15-7-11-8-17-10(2)16-11/h3-6,8-9,15H,7H2,1-2H3/t9-/m1/s1.
What are the key properties of (1R)-1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine?
(1R)-1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 266.80 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 28781310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).