(1R)-1-(4-chlorophenyl)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]ethanamine

C12H12Cl2N2S — CID 107124106

IUPAC(1R)-1-(4-chlorophenyl)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]ethanamine
SMILESC[C@@H](NCc1ncc(Cl)s1)c1ccc(Cl)cc1
InChIInChI=1S/C12H12Cl2N2S/c1-8(9-2-4-10(13)5-3-9)15-7-12-16-6-11(14)17-12/h2-6,8,15H,7H2,1H3/t8-/m1/s1
InChIKeyZCVMOJCLQXNAPR-MRVPVSSYSA-N
MW287.22 g/mol
LogP4.30
Rot. Bonds4

About (1R)-1-(4-chlorophenyl)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]ethanamine

(1R)-1-(4-chlorophenyl)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 107124106) has the molecular formula C12H12Cl2N2S and a molecular weight of 287.22 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID107124106
Molecular FormulaC12H12Cl2N2S
Molecular Weight287.22 g/mol
Exact Mass286.01
IUPAC Name(1R)-1-(4-chlorophenyl)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]ethanamine
SMILESC[C@@H](NCc1ncc(Cl)s1)c1ccc(Cl)cc1
InChIInChI=1S/C12H12Cl2N2S/c1-8(9-2-4-10(13)5-3-9)15-7-12-16-6-11(14)17-12/h2-6,8,15H,7H2,1H3/t8-/m1/s1
InChIKeyZCVMOJCLQXNAPR-MRVPVSSYSA-N
XLogP4.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66223891
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 104878345
(1S)-1-(4-chlorophenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81353359
(1S)-1-(4-chlorophenyl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81354039
1-(2,6-dichloro-3-fluorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786339
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 60982900
1-(3,5-dimethylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103786249
2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propan-2-ylpropanamide
CID 107124162
3-[(5-chloro-1,3-thiazol-2-yl)methylamino]butanamide
CID 104879366
1-(4-propan-2-ylphenyl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 61285618
2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-ethylpropanamide
CID 104878456
2-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]thiophen-3-amine
CID 81351915

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-chlorophenyl)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]ethanamine (CID 107124106) is (1R)-1-(4-chlorophenyl)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]ethanamine is C[C@@H](NCc1ncc(Cl)s1)c1ccc(Cl)cc1.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is ZCVMOJCLQXNAPR-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H12Cl2N2S/c1-8(9-2-4-10(13)5-3-9)15-7-12-16-6-11(14)17-12/h2-6,8,15H,7H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]ethanamine?
(1R)-1-(4-chlorophenyl)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 287.22 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 107124106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).