1-(2-chlorophenyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine

C13H15ClN2S — CID 112642906

IUPAC1-(2-chlorophenyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESCNC(Cc1cncs1)Cc1ccccc1Cl
InChIInChI=1S/C13H15ClN2S/c1-15-11(7-12-8-16-9-17-12)6-10-4-2-3-5-13(10)14/h2-5,8-9,11,15H,6-7H2,1H3
InChIKeyJAGYDLLUMSKIIK-UHFFFAOYSA-N
MW266.80 g/mol
LogP3.17
Rot. Bonds5

About 1-(2-chlorophenyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine

1-(2-chlorophenyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine (PubChem CID 112642906) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine
PubChem CID112642906
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name1-(2-chlorophenyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine
SMILESCNC(Cc1cncs1)Cc1ccccc1Cl
InChIInChI=1S/C13H15ClN2S/c1-15-11(7-12-8-16-9-17-12)6-10-4-2-3-5-13(10)14/h2-5,8-9,11,15H,6-7H2,1H3
InChIKeyJAGYDLLUMSKIIK-UHFFFAOYSA-N
XLogP3.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dichlorophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642799
N-methyl-4-phenoxy-1-(1,3-thiazol-5-yl)butan-2-amine
CID 112642684
1-(2-bromophenyl)-N-ethyl-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642980
1-(2-chlorophenyl)-N-methyldodecan-2-amine
CID 63414970
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)-N-methylpropan-2-amine
CID 115983710
1-(2-chlorophenyl)-N-methylundecan-2-amine
CID 63415015
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642975
1-(2-chlorofuran-3-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 106692940
2-(2-chlorophenyl)-N-propan-2-yl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644240
2-(2-chlorophenyl)-N-propyl-3-(1,3-thiazol-5-yl)propan-1-amine
CID 112644237
N-methyl-1-propoxy-3-(1,3-thiazol-5-yl)propan-2-amine
CID 112642913
[4-phenyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine
CID 105205632

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine (CID 112642906) is 1-(2-chlorophenyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine is CNC(Cc1cncs1)Cc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine?
The InChIKey is JAGYDLLUMSKIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-15-11(7-12-8-16-9-17-12)6-10-4-2-3-5-13(10)14/h2-5,8-9,11,15H,6-7H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine?
1-(2-chlorophenyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine has a molecular weight of 266.80 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-methyl-3-(1,3-thiazol-5-yl)propan-2-amine is sourced from PubChem (CID 112642906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).