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

C12H13ClN2S — CID 81366485

IUPAC(1R)-1-(3-chlorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
SMILESC[C@@H](NCc1cncs1)c1cccc(Cl)c1
InChIInChI=1S/C12H13ClN2S/c1-9(10-3-2-4-11(13)5-10)15-7-12-6-14-8-16-12/h2-6,8-9,15H,7H2,1H3/t9-/m1/s1
InChIKeyPWVWEODSNYLQLX-SECBINFHSA-N
MW252.77 g/mol
LogP3.65
Rot. Bonds4

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

(1R)-1-(3-chlorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine (PubChem CID 81366485) has the molecular formula C12H13ClN2S and a molecular weight of 252.77 g/mol. Its IUPAC name is (1R)-1-(3-chlorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-chlorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
PubChem CID81366485
Molecular FormulaC12H13ClN2S
Molecular Weight252.77 g/mol
Exact Mass252.05
IUPAC Name(1R)-1-(3-chlorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
SMILESC[C@@H](NCc1cncs1)c1cccc(Cl)c1
InChIInChI=1S/C12H13ClN2S/c1-9(10-3-2-4-11(13)5-10)15-7-12-6-14-8-16-12/h2-6,8-9,15H,7H2,1H3/t9-/m1/s1
InChIKeyPWVWEODSNYLQLX-SECBINFHSA-N
XLogP3.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.77
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-fluorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81365024
(1R)-1-phenyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 81351888
(1S)-1-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 28649499
2-(3-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644220
1-(3,4-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115732234
1-(3-chlorophenyl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112642744
1-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62758658
1-(3-chlorophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 55170713
1-(4-methylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 62760386
1-(3,5-dimethylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115732390
(1S)-1-(3-chlorophenyl)-N-[(2,6-dichlorophenyl)methyl]ethanamine
CID 30052784
1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62761205

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-chlorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(3-chlorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine (CID 81366485) is (1R)-1-(3-chlorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-chlorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(3-chlorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine is C[C@@H](NCc1cncs1)c1cccc(Cl)c1.
What is the InChIKey of (1R)-1-(3-chlorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine?
The InChIKey is PWVWEODSNYLQLX-SECBINFHSA-N. The full InChI is InChI=1S/C12H13ClN2S/c1-9(10-3-2-4-11(13)5-10)15-7-12-6-14-8-16-12/h2-6,8-9,15H,7H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-(3-chlorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine?
(1R)-1-(3-chlorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine has a molecular weight of 252.77 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-chlorophenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 81366485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).